 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer04_STD_wB97XD_def2SVPD.in
 Output=21_phenylethanol_conformer04_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-97720.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     97721.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer04_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:29:42 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer04_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.290197000000      0.748875000000     -0.891176000000
  C                                                -1.648974000000     -0.346953000000     -0.234259000000
  H                                                -1.847181000000      0.897780000000     -1.734096000000
  H                                                -1.837741000000     -1.270698000000     -0.796269000000
  C                                                -2.300915000000     -0.468453000000      1.135040000000
  C                                                -0.150678000000     -0.155244000000     -0.135613000000
  H                                                -3.376843000000     -0.608909000000      1.025779000000
  H                                                -2.123257000000      0.438110000000      1.715196000000
  H                                                -1.885133000000     -1.316357000000      1.680026000000
  C                                                 0.387808000000      1.095483000000      0.166105000000
  C                                                 1.761013000000      1.260318000000      0.290370000000
  C                                                 2.614804000000      0.175587000000      0.119503000000
  C                                                 2.086637000000     -1.073581000000     -0.182153000000
  C                                                 0.711910000000     -1.234195000000     -0.311415000000
  H                                                -0.277717000000      1.939381000000      0.293556000000
  H                                                 2.166838000000      2.236806000000      0.522706000000
  H                                                 3.685054000000      0.305030000000      0.215836000000
  H                                                 2.744500000000     -1.921576000000     -0.323868000000
  H                                                 0.303419000000     -2.208340000000     -0.554934000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:29:42 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.290197    0.748875   -0.891176
      2          6           0       -1.648974   -0.346953   -0.234259
      3          1           0       -1.847181    0.897780   -1.734096
      4          1           0       -1.837741   -1.270698   -0.796269
      5          6           0       -2.300915   -0.468453    1.135040
      6          6           0       -0.150678   -0.155244   -0.135613
      7          1           0       -3.376843   -0.608909    1.025779
      8          1           0       -2.123257    0.438110    1.715196
      9          1           0       -1.885133   -1.316357    1.680026
     10          6           0        0.387808    1.095483    0.166105
     11          6           0        1.761013    1.260318    0.290370
     12          6           0        2.614804    0.175587    0.119503
     13          6           0        2.086637   -1.073581   -0.182153
     14          6           0        0.711910   -1.234195   -0.311415
     15          1           0       -0.277717    1.939381    0.293556
     16          1           0        2.166838    2.236806    0.522706
     17          1           0        3.685054    0.305030    0.215836
     18          1           0        2.744500   -1.921576   -0.323868
     19          1           0        0.303419   -2.208340   -0.554934
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.429526   0.000000
     3  H    0.963821   1.959122   0.000000
     4  H    2.071811   1.097631   2.362606   0.000000
     5  C    2.363801   1.521437   3.210048   2.141981   0.000000
     6  C    2.442509   1.513729   2.557759   2.127648   2.517177
     7  H    2.588261   2.154495   3.496697   2.475209   1.090544
     8  H    2.630137   2.154447   3.490721   3.051065   1.090871
     9  H    3.322701   2.158704   4.069407   2.477169   1.090333
    10  C    2.899947   2.527725   2.940243   3.387926   3.257908
    11  C    4.250874   3.806122   4.153187   4.531871   4.494594
    12  C    5.040751   4.310220   4.885356   4.770276   5.060672
    13  C    4.793823   3.805981   4.665803   3.977026   4.620800
    14  C    3.644357   2.523277   3.621917   2.595599   3.428660
    15  H    2.621254   2.717767   2.767584   3.731756   3.255624
    16  H    4.906950   4.670035   4.795675   5.484426   5.258726
    17  H    6.093119   5.392543   5.895694   5.831684   6.105329
    18  H    5.727244   4.667985   5.569654   4.652283   5.449421
    19  H    3.947787   2.716511   3.957712   2.349890   3.558901
                    6          7          8          9         10
     6  C    0.000000
     7  H    3.458726   0.000000
     8  H    2.769229   1.772857   0.000000
     9  H    2.766417   1.775872   1.770902   0.000000
    10  C    1.394747   4.220970   3.022792   3.643513   0.000000
    11  C    2.416576   5.516557   4.218259   4.675979   1.388634
    12  C    2.796860   6.110369   5.006434   4.991048   2.409957
    13  C    2.418902   5.614680   4.858842   4.393360   2.777074
    14  C    1.392516   4.347065   3.865479   3.273717   2.400097
    15  H    2.141910   4.078543   2.771442   3.886633   1.082281
    16  H    3.395021   6.251686   4.802318   5.512062   2.143532
    17  H    3.879202   7.166706   6.000189   5.983288   3.391035
    18  H    3.396678   6.404333   5.781086   5.080884   3.859626
    19  H    2.144117   4.312906   4.248052   3.252759   3.382642
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.390969   0.000000
    13  C    2.403413   1.389380   0.000000
    14  C    2.772248   2.407111   1.390101   0.000000
    15  H    2.148850   3.392336   3.859328   3.378896   0.000000
    16  H    1.082683   2.147526   3.385546   3.854922   2.473221
    17  H    2.149433   1.082345   2.147999   3.389217   4.287272
    18  H    3.386589   2.147438   1.082572   2.145710   4.941862
    19  H    3.856256   3.388285   2.146278   1.084032   4.273318
                   16         17         18         19
    16  H    0.000000
    17  H    2.476067   0.000000
    18  H    4.282817   2.476630   0.000000
    19  H    4.938923   4.283290   2.468704   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.39D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.290197    0.748875   -0.891176
      2          6           0       -1.648974   -0.346953   -0.234259
      3          1           0       -1.847181    0.897780   -1.734096
      4          1           0       -1.837741   -1.270698   -0.796269
      5          6           0       -2.300915   -0.468453    1.135040
      6          6           0       -0.150678   -0.155244   -0.135613
      7          1           0       -3.376843   -0.608909    1.025779
      8          1           0       -2.123257    0.438110    1.715196
      9          1           0       -1.885133   -1.316357    1.680026
     10          6           0        0.387808    1.095483    0.166105
     11          6           0        1.761013    1.260318    0.290370
     12          6           0        2.614804    0.175587    0.119503
     13          6           0        2.086637   -1.073581   -0.182153
     14          6           0        0.711910   -1.234195   -0.311415
     15          1           0       -0.277717    1.939381    0.293556
     16          1           0        2.166838    2.236806    0.522706
     17          1           0        3.685054    0.305030    0.215836
     18          1           0        2.744500   -1.921576   -0.323868
     19          1           0        0.303419   -2.208340   -0.554934
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4873523           1.1087927           0.9832918
 Leave Link  202 at Thu Aug 12 22:29:42 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.6499884117 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0102665437 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.6397218681 Hartrees.
 Leave Link  301 at Thu Aug 12 22:29:43 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.28D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 22:29:43 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:29:43 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer04_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:29:44 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368546127 LenY=  5368466725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.705284617811    
 DIIS: error= 4.75D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.705284617811     IErMin= 1 ErrMin= 4.75D-03
 ErrMax= 4.75D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.30D-03 BMatP= 9.30D-03
 IDIUse=3 WtCom= 9.52D-01 WtEn= 4.75D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.378 Goal=   None    Shift=    0.000
 GapD=    0.378 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.56D-03 MaxDP=2.58D-01              OVMax= 1.62D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.31D-03    CP:  1.15D+00
 E= -385.713118676853     Delta-E=       -0.007834059042 Rises=F Damp=F
 DIIS: error= 8.15D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.713118676853     IErMin= 2 ErrMin= 8.15D-04
 ErrMax= 8.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.97D-04 BMatP= 9.30D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.15D-03
 Coeff-Com: -0.168D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.166D-01 0.102D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.68D-03 MaxDP=5.51D-02 DE=-7.83D-03 OVMax= 7.02D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.41D-04    CP:  1.18D+00  1.11D+00
 E= -385.713357439548     Delta-E=       -0.000238762695 Rises=F Damp=F
 DIIS: error= 6.83D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.713357439548     IErMin= 3 ErrMin= 6.83D-04
 ErrMax= 6.83D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-04 BMatP= 2.97D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.83D-03
 Coeff-Com: -0.477D-01 0.505D+00 0.543D+00
 Coeff-En:   0.000D+00 0.980D-01 0.902D+00
 Coeff:     -0.473D-01 0.502D+00 0.545D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.40D-04 MaxDP=4.92D-03 DE=-2.39D-04 OVMax= 3.31D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.06D-04    CP:  1.18D+00  1.12D+00  1.04D+00
 E= -385.713546490222     Delta-E=       -0.000189050674 Rises=F Damp=F
 DIIS: error= 1.07D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.713546490222     IErMin= 4 ErrMin= 1.07D-04
 ErrMax= 1.07D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.60D-06 BMatP= 2.64D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.07D-03
 Coeff-Com: -0.103D-01 0.387D-01 0.118D+00 0.854D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.103D-01 0.386D-01 0.117D+00 0.854D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=5.42D-05 MaxDP=1.33D-03 DE=-1.89D-04 OVMax= 7.10D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.56D-05    CP:  1.18D+00  1.12D+00  1.07D+00  1.12D+00
 E= -385.713552184411     Delta-E=       -0.000005694189 Rises=F Damp=F
 DIIS: error= 3.94D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.713552184411     IErMin= 5 ErrMin= 3.94D-05
 ErrMax= 3.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.74D-07 BMatP= 5.60D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.128D-02-0.367D-01-0.190D-01 0.304D+00 0.751D+00
 Coeff:      0.128D-02-0.367D-01-0.190D-01 0.304D+00 0.751D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=2.97D-05 MaxDP=8.98D-04 DE=-5.69D-06 OVMax= 3.09D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.39D-05    CP:  1.18D+00  1.12D+00  1.10D+00  1.12D+00  9.35D-01
 E= -385.713553347109     Delta-E=       -0.000001162698 Rises=F Damp=F
 DIIS: error= 7.55D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.713553347109     IErMin= 6 ErrMin= 7.55D-06
 ErrMax= 7.55D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.19D-08 BMatP= 9.74D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.913D-03-0.126D-01-0.116D-01 0.358D-01 0.216D+00 0.771D+00
 Coeff:      0.913D-03-0.126D-01-0.116D-01 0.358D-01 0.216D+00 0.771D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=6.41D-06 MaxDP=1.97D-04 DE=-1.16D-06 OVMax= 9.27D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.19D-06    CP:  1.18D+00  1.12D+00  1.10D+00  1.13D+00  9.84D-01
                    CP:  9.83D-01
 E= -385.713553413227     Delta-E=       -0.000000066118 Rises=F Damp=F
 DIIS: error= 3.62D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.713553413227     IErMin= 7 ErrMin= 3.62D-06
 ErrMax= 3.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.35D-09 BMatP= 5.19D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.277D-03-0.193D-02-0.278D-02-0.136D-01 0.174D-01 0.283D+00
 Coeff-Com:  0.717D+00
 Coeff:      0.277D-03-0.193D-02-0.278D-02-0.136D-01 0.174D-01 0.283D+00
 Coeff:      0.717D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=2.20D-06 MaxDP=6.71D-05 DE=-6.61D-08 OVMax= 4.68D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.41D-06    CP:  1.18D+00  1.12D+00  1.10D+00  1.13D+00  9.92D-01
                    CP:  1.05D+00  1.03D+00
 E= -385.713553424513     Delta-E=       -0.000000011286 Rises=F Damp=F
 DIIS: error= 1.42D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.713553424513     IErMin= 8 ErrMin= 1.42D-06
 ErrMax= 1.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-09 BMatP= 8.35D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.992D-04 0.203D-02 0.170D-02-0.127D-01-0.384D-01-0.629D-01
 Coeff-Com:  0.246D+00 0.864D+00
 Coeff:     -0.992D-04 0.203D-02 0.170D-02-0.127D-01-0.384D-01-0.629D-01
 Coeff:      0.246D+00 0.864D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=8.22D-07 MaxDP=3.75D-05 DE=-1.13D-08 OVMax= 2.05D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.18D-07    CP:  1.18D+00  1.12D+00  1.10D+00  1.12D+00  9.97D-01
                    CP:  1.07D+00  1.13D+00  9.86D-01
 E= -385.713553426389     Delta-E=       -0.000000001876 Rises=F Damp=F
 DIIS: error= 2.06D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.713553426389     IErMin= 9 ErrMin= 2.06D-07
 ErrMax= 2.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.34D-11 BMatP= 1.15D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.334D-04 0.545D-03 0.496D-03-0.247D-02-0.955D-02-0.249D-01
 Coeff-Com:  0.304D-01 0.201D+00 0.805D+00
 Coeff:     -0.334D-04 0.545D-03 0.496D-03-0.247D-02-0.955D-02-0.249D-01
 Coeff:      0.304D-01 0.201D+00 0.805D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.64D-07 MaxDP=4.99D-06 DE=-1.88D-09 OVMax= 2.94D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.23D-07    CP:  1.18D+00  1.12D+00  1.10D+00  1.12D+00  9.97D-01
                    CP:  1.07D+00  1.14D+00  1.02D+00  1.06D+00
 E= -385.713553426434     Delta-E=       -0.000000000045 Rises=F Damp=F
 DIIS: error= 1.06D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.713553426434     IErMin=10 ErrMin= 1.06D-07
 ErrMax= 1.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.14D-12 BMatP= 3.34D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.170D-05-0.894D-04-0.633D-04 0.909D-03 0.198D-02-0.842D-04
 Coeff-Com: -0.237D-01-0.530D-01 0.296D+00 0.778D+00
 Coeff:      0.170D-05-0.894D-04-0.633D-04 0.909D-03 0.198D-02-0.842D-04
 Coeff:     -0.237D-01-0.530D-01 0.296D+00 0.778D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=6.27D-08 MaxDP=1.55D-06 DE=-4.47D-11 OVMax= 1.39D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.79D-08    CP:  1.18D+00  1.12D+00  1.10D+00  1.12D+00  9.97D-01
                    CP:  1.07D+00  1.14D+00  1.03D+00  1.12D+00  9.44D-01
 E= -385.713553426451     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 2.94D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -385.713553426451     IErMin=11 ErrMin= 2.94D-08
 ErrMax= 2.94D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.32D-13 BMatP= 7.14D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.281D-05-0.630D-04-0.528D-04 0.425D-03 0.122D-02 0.177D-02
 Coeff-Com: -0.786D-02-0.296D-01 0.127D-01 0.208D+00 0.814D+00
 Coeff:      0.281D-05-0.630D-04-0.528D-04 0.425D-03 0.122D-02 0.177D-02
 Coeff:     -0.786D-02-0.296D-01 0.127D-01 0.208D+00 0.814D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.69D-08 MaxDP=3.78D-07 DE=-1.72D-11 OVMax= 4.07D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.24D-08    CP:  1.18D+00  1.12D+00  1.10D+00  1.12D+00  9.97D-01
                    CP:  1.07D+00  1.14D+00  1.03D+00  1.13D+00  9.75D-01
                    CP:  1.05D+00
 E= -385.713553426442     Delta-E=        0.000000000009 Rises=F Damp=F
 DIIS: error= 1.25D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -385.713553426451     IErMin=12 ErrMin= 1.25D-08
 ErrMax= 1.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.21D-14 BMatP= 4.32D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.680D-06-0.938D-05-0.936D-05 0.309D-04 0.149D-03 0.517D-03
 Coeff-Com:  0.396D-03-0.316D-02-0.296D-01-0.189D-01 0.242D+00 0.809D+00
 Coeff:      0.680D-06-0.938D-05-0.936D-05 0.309D-04 0.149D-03 0.517D-03
 Coeff:      0.396D-03-0.316D-02-0.296D-01-0.189D-01 0.242D+00 0.809D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=5.69D-09 MaxDP=1.39D-07 DE= 8.98D-12 OVMax= 2.59D-07

 SCF Done:  E(RwB97XD) =  -385.713553426     A.U. after   12 cycles
            NFock= 12  Conv=0.57D-08     -V/T= 2.0113
 KE= 3.814049226236D+02 PE=-1.746121613146D+03 EE= 5.533634152276D+02
 Leave Link  502 at Thu Aug 12 22:30:50 2021, MaxMem=  5368709120 cpu:             526.6 elap:              66.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.81403767D+02

 Leave Link  801 at Thu Aug 12 22:30:50 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 4.29D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 1.99D-01 7.56D-02.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 3.52D-02 6.89D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 2.59D-03 1.49D-02.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 2.06D-04 3.79D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 9.56D-06 7.79D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 3.38D-07 1.59D-04.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 7.91D-09 1.50D-05.
     11 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 1.97D-10 3.31D-06.
      9 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 4.22D-12 4.02D-07.
      7 vectors produced by pass 10 Test12= 1.26D-13 8.33D-09 XBig12= 8.24D-14 4.03D-08.
      1 vectors produced by pass 11 Test12= 1.26D-13 8.33D-09 XBig12= 6.80D-15 1.35D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   116 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.125985D+03
      2  0.729147D+00  0.102449D+03
      3  0.659129D+00  0.510219D+01  0.725067D+02
 Isotropic polarizability for W=    0.085645      100.31 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.954493D+02  0.408914D+01  0.553619D+01
      2  -0.328281D+02 -0.114974D+02 -0.150013D+02
      3  -0.626212D+02  0.740822D+01  0.946507D+01
      4  -0.132090D+02  0.816130D+02  0.292502D+02
      5   0.313569D+02  0.304138D+02 -0.191696D+02
      6   0.118394D+02  0.971673D+01 -0.639087D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.115099D+01  0.595818D+01  0.450324D+01
      2   0.193323D+01  0.127510D+02 -0.606868D+01
      3  -0.808684D+01 -0.411604D+02 -0.126216D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.116359D+01  0.247180D+02  0.137991D+02
      2  -0.258207D+02  0.174108D+02  0.434516D+02
      3  -0.172982D+02 -0.114441D+03 -0.185744D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.355591D+00 -0.211070D+01  0.458518D+00
      2  -0.211070D+01 -0.253360D+01  0.293358D+01
      3   0.458518D+00  0.293358D+01  0.115640D+01
 OR G Eigenvalues:    -4.9663     0.9770     2.9676  Iso=     0.3405
 Eigenvectors:
   (1)   0.365188   0.828590  -0.424355
   (2)   0.883541  -0.164902   0.438364
   (3)  -0.293247   0.535020   0.792313
 w=    0.085645 a.u., Optical Rotation Beta=      0.3405 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =      132.20 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 4.74D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.53D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 4.35D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 5.23D-02 4.88D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 1.45D-03 5.50D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 1.82D-05 1.13D-03.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 3.30D-07 1.85D-04.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 3.38D-09 1.42D-05.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 2.39D-11 6.06D-07.
     30 vectors produced by pass  7 Test12= 2.11D-14 2.78D-09 XBig12= 1.70D-13 5.08D-08.
      8 vectors produced by pass  8 Test12= 2.11D-14 2.78D-09 XBig12= 1.72D-15 6.92D-09.
      1 vectors produced by pass  9 Test12= 2.11D-14 2.78D-09 XBig12= 1.71D-15 5.39D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   249 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 8.76D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 8.76D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.21D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125985D+03  0.729147D+00  0.659129D+00
      2   0.729147D+00  0.102449D+03  0.510219D+01
      3   0.659129D+00  0.510219D+01  0.725067D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.115099D+01  0.595818D+01  0.450324D+01
      2   0.193323D+01  0.127510D+02 -0.606868D+01
      3  -0.808684D+01 -0.411604D+02 -0.126216D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.954493D+02  0.408914D+01  0.553619D+01
      2  -0.328281D+02 -0.114974D+02 -0.150013D+02
      3  -0.626212D+02  0.740822D+01  0.946507D+01
      4  -0.132090D+02  0.816130D+02  0.292502D+02
      5   0.313569D+02  0.304138D+02 -0.191696D+02
      6   0.118394D+02  0.971673D+01 -0.639087D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.624108D+01  0.207579D+01 -0.123993D+01  0.384993D+01 -0.231123D+01
      2   0.207579D+01 -0.124118D+01  0.179143D+01 -0.231123D+01  0.145620D+01
      3  -0.123993D+01  0.179143D+01 -0.352536D+01  0.145465D+01 -0.139115D+01
                 6             7             8             9            10 
      1   0.145465D+01  0.485517D+00  0.916849D+00 -0.265474D+01  0.549652D+01
      2  -0.139115D+01  0.916849D+00  0.988785D+00 -0.551655D+00  0.180232D+00
      3   0.363967D-01 -0.265474D+01 -0.551655D+00  0.348229D+01 -0.102106D+01
                11            12            13            14            15 
      1   0.180232D+00 -0.102106D+01 -0.285639D+00  0.281660D+01 -0.165415D+01
      2   0.728326D+00 -0.123352D+01  0.281660D+01  0.378871D+01  0.377768D+01
      3  -0.123352D+01  0.222421D+01 -0.165415D+01  0.377768D+01  0.856412D+00
                16            17            18            19            20 
      1  -0.401078D+01 -0.140453D+01  0.479982D+01  0.109601D+01  0.802792D-01
      2  -0.140453D+01  0.250272D+01  0.166012D+01  0.802792D-01  0.521606D+00
      3   0.479982D+01  0.166012D+01 -0.127663D+01 -0.525263D+00 -0.954425D+00
                21            22            23            24            25 
      1  -0.525263D+00  0.187974D+00 -0.223011D+00 -0.112598D+00 -0.165643D+01
      2  -0.954425D+00 -0.223011D+00  0.124894D+01 -0.114502D+01  0.536829D-01
      3   0.241061D+01 -0.112598D+00 -0.114502D+01  0.140896D+01  0.130730D+00
                26            27            28            29            30 
      1   0.536829D-01  0.130730D+00 -0.626354D+00 -0.139221D+01 -0.559562D+00
      2  -0.169895D+01  0.205279D+01 -0.139221D+01 -0.965009D+00 -0.335583D+00
      3   0.205279D+01 -0.695453D+01 -0.559562D+00 -0.335583D+00 -0.902556D+00
                31            32            33            34            35 
      1  -0.292785D+01 -0.199337D+01 -0.542345D+00 -0.700983D+00 -0.624509D+00
      2  -0.199337D+01 -0.580558D+01 -0.220222D+01 -0.624509D+00 -0.233916D+01
      3  -0.542345D+00 -0.220222D+01 -0.223705D+01 -0.130180D+01 -0.193290D+01
                36            37            38            39            40 
      1  -0.130180D+01  0.843952D+01  0.154571D+01  0.305849D+00  0.142291D+01
      2  -0.193290D+01  0.154571D+01 -0.173952D+01  0.914840D+00 -0.153454D+01
      3  -0.217881D+01  0.305849D+00  0.914840D+00 -0.271254D+01  0.114141D+01
                41            42            43            44            45 
      1  -0.153454D+01  0.114141D+01  0.557095D+01  0.145872D+01 -0.400383D+01
      2  -0.299671D+00 -0.422791D+01  0.145872D+01 -0.322222D+01 -0.107644D+01
      3  -0.422791D+01 -0.618514D+00 -0.400383D+01 -0.107644D+01  0.106571D+01
                46            47            48            49            50 
      1  -0.179613D+02 -0.185255D+01  0.213648D-01 -0.337255D+01  0.149165D+01
      2  -0.185255D+01 -0.267596D+01  0.187298D+00  0.149165D+01 -0.367960D+00
      3   0.213648D-01  0.187298D+00 -0.208706D+01  0.120267D+01 -0.242702D+00
                51            52            53            54            55 
      1   0.120267D+01 -0.105246D+01  0.117310D+01 -0.420117D+01 -0.137016D+02
      2  -0.242702D+00  0.117310D+01 -0.534245D+00 -0.502413D+00 -0.167292D+01
      3  -0.748811D-01 -0.420117D+01 -0.502413D+00 -0.609291D+00  0.152866D+01
                56            57            58            59            60 
      1  -0.167292D+01  0.152866D+01 -0.164088D+01 -0.144423D+01  0.179546D+00
      2  -0.120409D+01  0.203801D+00 -0.144423D+01 -0.568538D+00  0.549110D+00
      3   0.203801D+00 -0.154154D+01  0.179546D+00  0.549110D+00 -0.240133D+00
                61            62            63            64            65 
      1  -0.137150D+01 -0.245222D+00 -0.661862D+00 -0.251180D+00  0.610221D+00
      2  -0.245222D+00  0.743732D-01 -0.646441D-01  0.610221D+00  0.400055D+00
      3  -0.661862D+00 -0.646441D-01 -0.229565D+00  0.208222D+00  0.526737D-01
                66            67            68            69            70 
      1   0.208222D+00  0.188958D+01 -0.145809D+00 -0.815232D+00  0.625514D+00
      2   0.526737D-01 -0.145809D+00  0.361544D+01  0.238249D+01 -0.300688D+00
      3   0.894995D+00 -0.815232D+00  0.238249D+01  0.314279D+01 -0.102237D+00
                71            72            73            74            75 
      1  -0.300688D+00 -0.102237D+00  0.636460D-01 -0.904017D+00  0.496618D+00
      2   0.199438D+01  0.162613D+01 -0.904017D+00  0.120778D+01 -0.795621D+00
      3   0.162613D+01  0.319149D+01  0.496618D+00 -0.795621D+00  0.149647D+01
                76            77            78            79            80 
      1  -0.153597D+01  0.243750D+00 -0.190497D-02  0.422194D+00 -0.205228D+00
      2   0.243750D+00 -0.403531D+01  0.262727D+01 -0.205228D+00  0.212817D+01
      3  -0.190497D-02  0.262727D+01 -0.256302D+01  0.325644D+00 -0.177866D+01
                81            82            83            84            85 
      1   0.325644D+00  0.394322D+01 -0.717857D+00  0.237494D+00  0.821290D+01
      2  -0.177866D+01 -0.717857D+00 -0.327566D+01 -0.627206D+00 -0.149119D+00
      3   0.290049D+01  0.237494D+00 -0.627206D+00 -0.146357D+01  0.435657D+00
                86            87            88            89            90 
      1  -0.149119D+00  0.435657D+00  0.277033D+01 -0.145839D+00 -0.181805D+01
      2   0.145356D+01 -0.852589D+00 -0.145839D+00 -0.146324D+01  0.318986D+01
      3  -0.852589D+00  0.158121D+01 -0.181805D+01  0.318986D+01  0.116798D+01
                91            92            93            94            95 
      1  -0.413147D+01 -0.401267D+00 -0.196838D+00  0.505490D+01  0.235529D+00
      2  -0.401267D+00  0.237229D+01 -0.264642D+00  0.235529D+00  0.144268D+01
      3  -0.196838D+00 -0.264642D+00  0.823394D+00 -0.271349D+00 -0.867432D+00
                96            97            98            99           100 
      1  -0.271349D+00  0.532659D+00 -0.698309D+00  0.188194D+01  0.595108D+01
      2  -0.867432D+00 -0.698309D+00 -0.116781D+01  0.363465D+01  0.356416D+00
      3   0.146685D+01  0.188194D+01  0.363465D+01  0.237146D+01 -0.377582D+00
               101           102           103           104           105 
      1   0.356416D+00 -0.377582D+00  0.804711D+00 -0.262691D+00 -0.110260D+01
      2   0.321634D+01  0.204549D+00 -0.262691D+00  0.212294D+00 -0.498882D+00
      3   0.204549D+00  0.220558D+01 -0.110260D+01 -0.498882D+00  0.107958D+00
               106           107           108           109           110 
      1  -0.826458D-01 -0.117307D+01  0.528109D+01 -0.253589D+01 -0.881409D+00
      2  -0.117307D+01  0.474862D-01  0.471707D+00 -0.881409D+00  0.272761D+01
      3   0.528109D+01  0.471707D+00  0.847711D+00 -0.458470D+00  0.784818D+00
               111           112           113           114           115 
      1  -0.458470D+00 -0.553467D+01 -0.817517D+00 -0.998910D+00 -0.176539D+01
      2   0.784818D+00 -0.817517D+00 -0.105138D+01  0.106205D+01 -0.607785D+00
      3   0.145922D+01 -0.998910D+00  0.106205D+01 -0.140837D+01  0.277110D+01
               116           117           118           119           120 
      1  -0.607785D+00  0.277110D+01  0.560809D+01  0.240956D+01  0.810001D+00
      2   0.157537D+01 -0.310107D+01  0.240956D+01 -0.230413D+01 -0.183894D+00
      3  -0.310107D+01 -0.124156D+01  0.810001D+00 -0.183894D+00 -0.607160D+00
               121           122           123           124           125 
      1  -0.672621D+01 -0.641116D+00  0.103126D+00 -0.615765D+00  0.916623D+00
      2  -0.641116D+00 -0.188239D+01  0.105185D+01  0.916623D+00  0.114947D+01
      3   0.103126D+00  0.105185D+01 -0.156063D+01 -0.897943D+00 -0.357501D+01
               126           127           128           129           130 
      1  -0.897943D+00 -0.322397D+01  0.226749D+01  0.250232D+00  0.239112D+01
      2  -0.357501D+01  0.226749D+01 -0.270460D+01 -0.291973D+00 -0.278145D+01
      3  -0.265557D+01  0.250232D+00 -0.291973D+00 -0.480439D+00 -0.518271D+00
               131           132           133           134           135 
      1  -0.278145D+01 -0.518271D+00  0.201730D+00 -0.420080D+00  0.931533D-04
      2   0.581325D+01  0.801636D+00 -0.420080D+00  0.988446D+00  0.150588D+00
      3   0.801636D+00  0.877923D+00  0.931533D-04  0.150588D+00  0.164497D+00
               136           137           138           139           140 
      1   0.220715D+01  0.253548D+01  0.627443D+00  0.225903D+01  0.360393D+01
      2   0.253548D+01  0.275892D+01  0.633080D+00  0.360393D+01  0.904650D+01
      3   0.627443D+00  0.633080D+00  0.516612D+00  0.805440D+00  0.185847D+01
               141           142           143           144           145 
      1   0.805440D+00  0.622439D+00  0.902931D+00  0.231706D+00  0.126852D+02
      2   0.185847D+01  0.902931D+00  0.200701D+01  0.489846D+00  0.119932D+01
      3   0.132448D+01  0.231706D+00  0.489846D+00  0.350544D+00  0.926474D+00
               146           147           148           149           150 
      1   0.119932D+01  0.926474D+00  0.113482D+01  0.162706D+01  0.399860D+00
      2   0.900047D+00  0.557249D-01  0.162706D+01  0.468298D+00  0.146944D+00
      3   0.557249D-01  0.104488D+01  0.399860D+00  0.146944D+00  0.165635D+00
               151           152           153           154           155 
      1   0.107651D+01  0.412633D+00  0.114151D+00  0.473398D+01 -0.371509D+01
      2   0.412633D+00  0.129423D+00  0.330075D-01 -0.371509D+01  0.342566D+01
      3   0.114151D+00  0.330075D-01  0.144142D+00 -0.572560D+00  0.425753D+00
               156           157           158           159           160 
      1  -0.572560D+00 -0.361818D+01  0.427401D+01  0.778387D+00 -0.545921D+00
      2   0.425753D+00  0.427401D+01 -0.644476D+01 -0.100211D+01  0.643311D+00
      3   0.645779D+00  0.778387D+00 -0.100211D+01 -0.960181D+00  0.166202D+00
               161           162           163           164           165 
      1   0.643311D+00  0.166202D+00 -0.155160D+01 -0.172316D+01 -0.461091D+00
      2  -0.119302D+01 -0.221473D+00 -0.172316D+01 -0.214846D+01 -0.567102D+00
      3  -0.221473D+00 -0.186417D+00 -0.461091D+00 -0.567102D+00 -0.401525D+00
               166           167           168           169           170 
      1  -0.156594D+01 -0.198844D+01 -0.483393D+00 -0.505964D+00 -0.652586D+00
      2  -0.198844D+01 -0.809030D+01 -0.182749D+01 -0.652586D+00 -0.196698D+01
      3  -0.483393D+00 -0.182749D+01 -0.130584D+01 -0.608374D-01 -0.504449D+00
               171 
      1  -0.608374D-01
      2  -0.504449D+00
      3  -0.353952D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.330808D+00  0.275512D+01  0.244860D+01  0.340561D+00 -0.321262D+01
      2  -0.404257D+01 -0.358976D+01  0.129184D+02 -0.283920D+00  0.747950D+00
      3   0.357046D+01 -0.973011D+01  0.531722D+01 -0.276580D+01  0.554691D+01
                 6             7             8             9            10 
      1  -0.263082D+01 -0.118966D+01  0.416884D+01 -0.497305D+01 -0.117671D+01
      2   0.765793D+00  0.520680D+01  0.361747D+01 -0.102848D+02  0.368734D+01
      3  -0.270002D+01  0.279051D+01  0.830429D+00 -0.355738D+01 -0.217717D+01
                11            12            13            14            15 
      1  -0.495759D+00  0.331695D-01  0.163514D+01  0.328183D+01 -0.578601D+00
      2   0.174459D+01 -0.240333D+01  0.633819D+00 -0.726815D+01 -0.185208D+01
      3   0.715391D+00 -0.558166D+00  0.121796D+02  0.461526D+01  0.894819D+01
                16            17            18            19            20 
      1   0.365589D+01  0.291966D+01 -0.104064D+01 -0.821256D-01 -0.510544D+00
      2  -0.156251D+02 -0.462321D+01  0.239488D+01  0.515282D+01  0.208004D+01
      3   0.283463D+00  0.898606D+01  0.816234D+00  0.215232D+01  0.196254D+01
                21            22            23            24            25 
      1  -0.194966D+01 -0.205329D+00 -0.153012D+00 -0.118332D+01 -0.676722D+00
      2  -0.604253D+01  0.418468D+00  0.239097D+01 -0.371589D+01 -0.491247D+01
      3  -0.290768D+01  0.162770D+01  0.259500D+01 -0.252614D+01 -0.122080D+01
                26            27            28            29            30 
      1   0.972589D+00  0.442827D+01 -0.393463D+00 -0.153607D+00 -0.966615D+00
      2  -0.534889D+01  0.164138D+02  0.833332D+00  0.285306D+00  0.235023D+01
      3  -0.352007D+01  0.738826D+01 -0.321978D+01 -0.223423D+01 -0.430939D+00
                31            32            33            34            35 
      1  -0.366291D+00  0.744852D+00 -0.338536D+01 -0.767636D+00  0.512347D+00
      2  -0.368543D+00  0.382150D+01  0.434774D+01  0.605418D+00  0.273036D+01
      3   0.121777D+01 -0.113598D+02 -0.443698D+01  0.226152D+00 -0.450512D+01
                36            37            38            39            40 
      1  -0.214682D+01  0.263027D+01 -0.315655D+01 -0.512906D+00 -0.126459D+00
      2   0.367292D+01 -0.122138D+02 -0.428073D+01  0.103197D+02 -0.345368D+01
      3  -0.287271D+01  0.992809D+00 -0.922933D+01  0.154270D+01 -0.229963D+01
                41            42            43            44            45 
      1  -0.235302D+01 -0.968440D+01 -0.181477D+01 -0.458871D+01  0.771077D-01
      2   0.134430D+02  0.700193D+00  0.624398D+01  0.220290D+01  0.107421D+01
      3  -0.931519D-01 -0.137274D+02 -0.264742D+00 -0.126165D+02 -0.135875D+00
                46            47            48            49            50 
      1  -0.618191D+00 -0.186389D-01  0.355618D+00 -0.113828D+01 -0.335360D+01
      2  -0.408834D+01 -0.908856D+00 -0.124111D+01 -0.143226D+01  0.742059D+00
      3   0.932224D+00  0.613685D+01  0.849453D+00  0.173982D+02  0.159068D+01
                51            52            53            54            55 
      1   0.784117D+00 -0.715052D+00  0.101023D+02  0.206443D+01 -0.918219D+00
      2   0.132923D+00 -0.138407D+02  0.376621D+00 -0.520302D+00  0.100189D+02
      3  -0.138435D+01  0.451320D+00 -0.250477D+00  0.516239D+00  0.265528D+01
                56            57            58            59            60 
      1  -0.188621D+01 -0.111185D+01 -0.153317D+01 -0.161015D+00 -0.237183D+00
      2   0.123110D+01  0.603424D+01  0.134479D+01 -0.341631D+00  0.849098D+00
      3  -0.560432D+01 -0.213918D+00 -0.206462D+01 -0.957361D+00  0.151420D+01
                61            62            63            64            65 
      1  -0.475829D+00  0.916868D+00 -0.309851D+00  0.160852D+01  0.131751D+01
      2   0.131896D+01  0.902385D-01  0.148172D+01 -0.155303D+01 -0.117612D+01
      3  -0.760877D-01  0.116228D+01  0.370108D+00  0.268428D+01  0.111034D+01
                66            67            68            69            70 
      1   0.114579D+00  0.448434D+00  0.769573D+01  0.296125D+01 -0.250630D+00
      2  -0.191014D+01 -0.161668D+01 -0.691287D+01 -0.736899D+01 -0.203386D+01
      3   0.127035D+00  0.203860D+01  0.105346D+02  0.671580D+01 -0.488403D+00
                71            72            73            74            75 
      1   0.534822D+01  0.353717D+01 -0.126438D+01  0.200270D+01  0.562461D+00
      2  -0.422874D+01 -0.764643D+01 -0.288453D+01  0.283409D+01 -0.325785D+01
      3   0.571776D+01  0.456758D+01 -0.360597D+01  0.356234D+01 -0.207315D+01
                76            77            78            79            80 
      1   0.101748D+01 -0.461447D+01  0.249167D+00  0.206712D+00  0.347365D+01
      2   0.296914D+01 -0.746856D+01  0.627919D+01 -0.326964D+01  0.479873D+01
      3   0.416480D+01 -0.101442D+02  0.665298D+01 -0.106823D+01  0.553326D+01
                81            82            83            84            85 
      1  -0.277859D+00 -0.236272D+00 -0.138598D+00  0.205651D+01 -0.960485D+00
      2  -0.723538D+01  0.189467D+01  0.346737D+00 -0.102311D+01  0.368188D+01
      3  -0.495449D+01  0.126758D+00  0.218891D+00  0.682927D+00  0.216772D+01
                86            87            88            89            90 
      1   0.263202D+00 -0.223398D+01  0.732352D+01  0.327449D+01  0.714930D+00
      2   0.596504D+00  0.114313D+01 -0.121926D+02  0.542042D-01  0.521005D-01
      3  -0.697077D+01  0.757248D+00 -0.155410D+01 -0.167493D+00 -0.616399D+01
                91            92            93            94            95 
      1  -0.833706D-02  0.902995D+00 -0.167005D+01  0.140759D+01 -0.135891D+00
      2  -0.596499D+00  0.229937D+01  0.116153D+01  0.137715D+01 -0.272509D+01
      3   0.228643D+01 -0.128968D+02 -0.211110D+01  0.300633D+01 -0.783971D+00
                96            97            98            99           100 
      1  -0.222469D+01 -0.518096D+01  0.706732D+00 -0.116623D+01  0.312136D+00
      2   0.342541D+01 -0.778715D+01  0.868382D+01  0.411691D+01  0.406265D+00
      3   0.165382D+01 -0.183441D+00  0.281185D+01 -0.426423D+01 -0.242946D+01
               101           102           103           104           105 
      1  -0.684481D+00 -0.683778D+00 -0.111493D+01 -0.251545D+01  0.743711D+00
      2  -0.137713D+00  0.574930D+01 -0.440727D+01  0.124433D+00  0.633576D+00
      3  -0.633792D+01 -0.109714D+00  0.115216D+02 -0.160865D+01  0.944078D+00
               106           107           108           109           110 
      1  -0.193923D+01  0.111263D+02  0.272599D+01 -0.245846D+00 -0.533391D+00
      2   0.720510D+01  0.235560D+01  0.169582D+01 -0.100941D+01  0.159738D+01
      3   0.335868D+01  0.582037D+00 -0.877984D+00  0.411962D+01 -0.100868D+02
               111           112           113           114           115 
      1   0.198542D+01 -0.130966D+01 -0.224544D+00 -0.152729D+01  0.673473D+01
      2   0.259401D+01 -0.958204D+00  0.292880D+01 -0.385929D+01 -0.344377D+01
      3  -0.165635D+01  0.681178D+01  0.105109D+01 -0.173028D+01  0.248541D+00
               116           117           118           119           120 
      1   0.351925D+01  0.102006D+01 -0.866685D-01  0.104885D+01 -0.137235D+01
      2  -0.101188D+02 -0.333151D+01  0.335914D+01  0.155076D+01 -0.485482D+00
      3  -0.300533D+01  0.427509D+01 -0.561745D+01 -0.371420D+01 -0.196958D+01
               121           122           123           124           125 
      1   0.104831D+01  0.832269D+00 -0.222792D+01 -0.500546D+01  0.102345D+01
      2   0.160627D+01 -0.671428D+00 -0.122138D+01 -0.134707D+02 -0.127587D+01
      3   0.318640D+01  0.674185D+01  0.130950D+00 -0.218465D+01 -0.102253D+01
               126           127           128           129           130 
      1  -0.497840D+00  0.145012D+00 -0.563996D+00  0.227721D+01  0.235402D+00
      2  -0.278136D+01  0.154520D+01 -0.721364D+00  0.693842D+00 -0.712360D+00
      3   0.516818D+01 -0.860768D+01  0.347649D+01  0.316313D+00  0.631113D+01
               131           132           133           134           135 
      1  -0.302235D-01 -0.307090D+01 -0.177672D+00  0.182542D+01 -0.752102D-01
      2   0.105600D+01 -0.103589D+01 -0.153312D+01  0.422676D+00 -0.286060D+00
      3  -0.490733D+01 -0.116859D+01 -0.183606D+00 -0.928034D+00 -0.102679D+00
               136           137           138           139           140 
      1  -0.161747D+00  0.760242D-01 -0.167271D+01 -0.151221D+00  0.508207D+00
      2   0.240134D+00  0.504445D+00  0.161335D+01  0.433202D+00  0.262690D+01
      3  -0.705716D+00 -0.237978D+01 -0.360012D+00 -0.114113D+01 -0.129783D+02
               141           142           143           144           145 
      1  -0.429695D+01  0.607210D+00  0.184324D+01 -0.640141D+00 -0.962422D-01
      2   0.336332D+01 -0.467002D+00  0.202655D-01  0.777738D+00  0.104368D+01
      3  -0.243112D+01 -0.347792D+00 -0.300658D+01 -0.610296D+00 -0.659985D+00
               146           147           148           149           150 
      1   0.360419D+00 -0.589183D+00  0.639499D-01  0.309954D-01 -0.387921D+00
      2  -0.732399D-01  0.626934D+01  0.142387D+01  0.335000D+00  0.868849D+00
      3  -0.526778D+01  0.113672D+00 -0.383061D+01 -0.137624D+01 -0.375987D+00
               151           152           153           154           155 
      1   0.350551D+00  0.475234D+00 -0.749549D-02  0.139745D+00 -0.528913D+00
      2  -0.249931D+01 -0.148299D+00  0.404011D+00 -0.134990D-01  0.163241D-01
      3  -0.106858D+01 -0.675989D+00 -0.261561D-01  0.135903D+01 -0.452836D+01
               156           157           158           159           160 
      1   0.222472D+01  0.281108D+00  0.201063D+00 -0.327306D+01 -0.861350D+00
      2   0.284203D+01  0.785926D+00 -0.140555D+01 -0.348605D+01 -0.753226D+00
      3  -0.204895D+00 -0.318031D+01  0.107054D+02  0.129106D+01 -0.842327D+00
               161           162           163           164           165 
      1   0.146602D+01 -0.337053D+00  0.121703D+00  0.207075D+00 -0.152919D+01
      2   0.519058D+00 -0.379913D+00 -0.145130D+01 -0.105095D+01  0.721288D-01
      3   0.206824D+01  0.246427D+00  0.577560D+01  0.359780D+01  0.109523D+01
               166           167           168           169           170 
      1   0.993562D-01  0.644291D+00 -0.405035D+01  0.544763D+00  0.214308D+01
      2  -0.144159D+01 -0.201984D+01  0.303637D-01 -0.174511D+01 -0.495267D+00
      3   0.664402D+01  0.816617D+01  0.220111D+01  0.212409D+01  0.200617D+01
               171 
      1  -0.544818D+00
      2   0.530669D-01
      3   0.217661D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.274380D+02 -0.189339D+01 -0.259475D+01 -0.881694D+01  0.244252D+01
      2  -0.153661D+02 -0.101301D+01 -0.602182D+01  0.385113D+01  0.776837D+01
      3  -0.120719D+02  0.290640D+01  0.861658D+01  0.496581D+01 -0.102109D+02
      4  -0.144275D+02  0.155063D+02 -0.697507D+01  0.195140D+02 -0.124122D+02
      5   0.123000D+02 -0.819432D+01  0.228377D+02 -0.115486D+02  0.913849D+01
      6  -0.450377D+01  0.457685D+01 -0.677619D+01  0.709468D+01 -0.411369D+01
                 6             7             8             9            10 
      1  -0.549385D+01 -0.140948D+01 -0.299354D+01  0.175217D+02  0.435951D+01
      2   0.264114D+01 -0.295120D+01 -0.215119D+01 -0.522613D+01  0.677708D+00
      3   0.285270D+01  0.436069D+01  0.514473D+01 -0.122956D+02 -0.503722D+01
      4   0.884157D+01 -0.574854D+01  0.554019D+00 -0.164796D+01  0.367920D+01
      5  -0.498502D+01  0.198193D+02 -0.243394D+00 -0.479811D+01  0.461327D+01
      6   0.602662D+01 -0.380198D+01  0.230974D+01  0.438517D+01  0.252996D+01
                11            12            13            14            15 
      1   0.171393D+01 -0.176109D+01  0.103401D+02  0.217109D+01  0.691977D+01
      2   0.269251D+00 -0.201239D+01 -0.783626D+01 -0.868761D+01 -0.119195D+02
      3  -0.198318D+01  0.377348D+01 -0.250382D+01  0.651653D+01  0.499972D+01
      4  -0.976188D+01  0.458793D+01 -0.168537D+02 -0.140434D+02 -0.183051D+02
      5   0.478284D+01 -0.153105D+02  0.125537D+02 -0.172994D+02 -0.548670D+00
      6  -0.109238D+01 -0.435348D-01 -0.681423D+01 -0.865188D+01 -0.695764D+01
                16            17            18            19            20 
      1   0.451534D+01  0.628698D+01 -0.638155D+01 -0.330161D+01 -0.344162D+01
      2  -0.931225D+01 -0.548493D+01  0.771855D+01  0.612040D+00  0.364279D+00
      3   0.479691D+01 -0.802043D+00 -0.133700D+01  0.268957D+01  0.307734D+01
      4   0.107286D+02 -0.140780D+02 -0.725855D+01  0.300031D+00 -0.217520D+01
      5  -0.297272D+02 -0.705893D+01  0.468431D+01  0.117212D+01  0.204226D+01
      6  -0.537679D+01 -0.754872D+01  0.128561D+01 -0.692285D+00 -0.248651D+01
                21            22            23            24            25 
      1   0.102537D+02 -0.154190D+01 -0.457245D+01  0.462292D+01  0.715569D+01
      2   0.420211D+00  0.185886D+00  0.196537D+01 -0.938195D+00 -0.279722D+01
      3  -0.106739D+02  0.135602D+01  0.260707D+01 -0.368473D+01 -0.435846D+01
      4   0.125306D+01  0.224904D+01 -0.422697D+01  0.339504D+01 -0.240341D+01
      5  -0.557644D+01 -0.589244D+00  0.327216D+01 -0.509828D+01  0.347480D+01
      6   0.456858D+01 -0.108773D+00 -0.385392D+01  0.690334D+01  0.854032D+00
                26            27            28            29            30 
      1   0.602387D+01 -0.202687D+02  0.272819D+01  0.303901D+01  0.222742D+01
      2   0.335134D+00 -0.664066D+01  0.673527D+00 -0.353177D+00 -0.412969D+00
      3  -0.635901D+01  0.269094D+02 -0.340172D+01 -0.268583D+01 -0.181445D+01
      4   0.461020D+01 -0.600910D+01  0.825066D+01  0.940029D+01  0.314179D+01
      5  -0.726780D+01  0.225456D+02  0.388195D+01  0.315977D+01  0.679603D+01
      6   0.660394D+01 -0.120568D+02  0.388967D+01  0.177473D+01  0.149349D+01
                31            32            33            34            35 
      1   0.180701D+01 -0.946844D+01 -0.472490D+01  0.884091D+00 -0.496859D+01
      2   0.210973D+01  0.169197D+02  0.537716D+01  0.555846D+00  0.415821D+01
      3  -0.391674D+01 -0.745129D+01 -0.652267D+00 -0.143994D+01  0.810389D+00
      4   0.128904D+02  0.258287D+02  0.969150D+01  0.452437D+01  0.102242D+02
      5   0.385405D+01  0.943446D+01  0.984600D+01  0.854693D+01  0.812184D+01
      6   0.378723D+01  0.136399D+02  0.947789D+01  0.383255D+01  0.105062D+02
                36            37            38            39            40 
      1  -0.436260D+01 -0.541728D+02 -0.130390D+02  0.772767D+01 -0.122976D+02
      2   0.843705D+00  0.229453D+02  0.760591D+01  0.622687D+00  0.676841D+01
      3   0.351890D+01  0.312275D+02  0.543313D+01 -0.835036D+01  0.552918D+01
      4   0.850863D+01 -0.165936D+02  0.816357D+01 -0.274084D+01  0.680768D+01
      5   0.898188D+01  0.104178D+02 -0.478633D+00  0.129765D+02 -0.226831D+01
      6   0.869958D+01  0.338920D+01 -0.684226D+01  0.358157D+01 -0.266198D+01
                41            42            43            44            45 
      1   0.181160D+02 -0.403980D+01 -0.461129D+01 -0.626569D+01  0.132678D+02
      2  -0.381835D+01  0.904618D+01  0.112773D+02  0.903370D+01 -0.132282D+02
      3  -0.142977D+02 -0.500638D+01 -0.666599D+01 -0.276801D+01 -0.395875D-01
      4   0.468996D+01  0.184171D+02 -0.763266D+01  0.151946D+02  0.756731D+01
      5   0.139247D+02  0.512995D+01  0.243758D+02  0.742025D+01 -0.110906D+02
      6   0.200617D+01 -0.129715D+02  0.656361D+01 -0.963714D+01 -0.273911D+01
                46            47            48            49            50 
      1  -0.162083D+02 -0.244757D+01 -0.253667D+01  0.395527D+01 -0.952549D+01
      2   0.271092D+01  0.144116D+01 -0.583534D+00 -0.528625D+01  0.143096D+02
      3   0.134974D+02  0.100641D+01  0.312021D+01  0.133097D+01 -0.478408D+01
      4   0.255546D+01  0.416099D+01 -0.101691D+01 -0.113181D+02 -0.194398D+01
      5  -0.650562D+01 -0.152999D+01  0.237239D+01 -0.426240D+01  0.885325D+00
      6  -0.392379D+01  0.834511D+00  0.544359D+00 -0.360473D+01  0.529374D+01
                51            52            53            54            55 
      1  -0.889394D+00 -0.590669D+01 -0.199143D+01 -0.851273D+01  0.846652D+02
      2   0.600133D+01 -0.859779D+00  0.445209D+01 -0.448997D+01 -0.427233D+02
      3  -0.511193D+01  0.676647D+01 -0.246066D+01  0.130027D+02 -0.419419D+02
      4   0.747006D+00 -0.502912D+01  0.171942D+01  0.119954D+01  0.202340D+02
      5   0.151930D+00  0.504642D+01  0.106096D+01 -0.919931D+00 -0.267502D+02
      6  -0.136216D+01  0.551144D+00  0.522759D+01 -0.294525D+01 -0.391592D+01
                56            57            58            59            60 
      1   0.854730D+01 -0.472912D+01  0.766188D+01  0.582215D+01  0.314647D+00
      2  -0.266383D+01  0.595782D+01 -0.212436D+01 -0.217193D+01 -0.270629D+00
      3  -0.588348D+01 -0.122869D+01 -0.553752D+01 -0.365022D+01 -0.440177D-01
      4   0.127381D+02 -0.192922D+01  0.137050D+02  0.498000D+01 -0.271450D+01
      5  -0.324359D+01  0.139357D+02 -0.283498D+01 -0.376364D+01  0.167366D+01
      6  -0.312480D+01  0.223168D+01 -0.251446D+01 -0.134137D+01  0.301906D+01
                61            62            63            64            65 
      1   0.655564D+01  0.127495D+01  0.498826D+01  0.357932D+01 -0.247637D+01
      2  -0.115768D+01 -0.511196D+00 -0.306393D+01 -0.202473D+01  0.123090D+01
      3  -0.539796D+01 -0.763758D+00 -0.192433D+01 -0.155459D+01  0.124546D+01
      4   0.201936D+01 -0.340808D+00  0.123674D+01 -0.153223D+01 -0.307151D+00
      5   0.739190D+01  0.516877D+00 -0.258435D-01 -0.155034D+01  0.176595D+01
      6   0.111857D+01  0.193834D+01  0.982624D-01  0.215257D+01  0.171491D+01
                66            67            68            69            70 
      1  -0.463644D+01 -0.613688D+01 -0.841853D+01 -0.550013D+01 -0.315696D+01
      2   0.138414D+00  0.445884D+01  0.163653D+01 -0.535698D+01  0.229896D+01
      3   0.449803D+01  0.167804D+01  0.678200D+01  0.108571D+02  0.858003D+00
      4   0.371412D+00  0.274733D+01 -0.180067D+02 -0.116328D+02  0.173429D+01
      5  -0.763180D+00  0.781185D+01 -0.970703D+01 -0.140920D+02  0.404897D+01
      6   0.145953D+00 -0.544338D+00  0.129727D+02  0.103752D+02 -0.863238D+00
                71            72            73            74            75 
      1  -0.406196D+01 -0.983655D+01 -0.713062D+00  0.829113D+01 -0.738852D+01
      2  -0.402448D+01 -0.536559D+01  0.100732D+01 -0.527484D+01  0.130838D+01
      3   0.808644D+01  0.152021D+02 -0.294260D+00 -0.301630D+01  0.608014D+01
      4  -0.984513D+01 -0.817910D+01  0.184328D+01 -0.218588D+01  0.116714D+01
      5  -0.696292D+01 -0.127424D+02  0.205189D+00 -0.435316D+00 -0.227258D+01
      6   0.949943D+01  0.760584D+01 -0.347813D+01  0.548843D+01 -0.474549D+01
                76            77            78            79            80 
      1   0.813904D+01 -0.171602D+02  0.114575D+02 -0.360168D+01  0.957912D+01
      2  -0.473570D+01  0.137134D+02 -0.376762D+01  0.903427D+00 -0.292655D+01
      3  -0.340335D+01  0.344681D+01 -0.768983D+01  0.269825D+01 -0.665257D+01
      4   0.316578D+01  0.151731D+02 -0.104043D+02 -0.648571D+00 -0.845101D+01
      5  -0.463919D+01 -0.782849D+01  0.845371D+01  0.237887D+01  0.528024D+01
      6   0.872255D+00 -0.169787D+02  0.144957D+02 -0.129734D+01  0.127211D+02
                81            82            83            84            85 
      1  -0.141610D+02 -0.852701D+00  0.165029D+02  0.401240D+01 -0.491974D+01
      2   0.846576D+00  0.215421D-01 -0.124780D+02 -0.230011D+00  0.137265D+02
      3   0.133144D+02  0.831159D+00 -0.402484D+01 -0.378238D+01 -0.880681D+01
      4   0.599419D+01  0.115429D+02 -0.112982D+02 -0.679783D+00  0.405190D+01
      5  -0.871544D+01  0.268448D+01 -0.122401D+01 -0.178241D+01  0.254605D+01
      6  -0.118786D+02  0.237439D+01 -0.175316D+01 -0.439870D+01  0.816841D+01
                86            87            88            89            90 
      1   0.240946D+01  0.441502D+01 -0.156194D+01  0.570621D+01 -0.141927D+02
      2  -0.543955D+01 -0.295515D+01  0.680476D+01 -0.773595D+01  0.249416D+01
      3   0.303009D+01 -0.145987D+01 -0.524283D+01  0.202975D+01  0.116985D+02
      4   0.137286D+02  0.275362D+01  0.323149D+01  0.114899D+01  0.283411D+01
      5   0.279397D+01 -0.246097D+00  0.277682D+01  0.158756D+01 -0.984598D+00
      6  -0.530789D+01  0.482943D+01 -0.417661D+01  0.119098D+02 -0.481187D+00
                91            92            93            94            95 
      1   0.873740D+01 -0.214082D+02 -0.257316D+01  0.207927D+02  0.118228D+02
      2  -0.906473D+01  0.147887D+02  0.880655D+00 -0.173105D+02 -0.146426D+02
      3   0.327333D+00  0.661947D+01  0.169251D+01 -0.348222D+01  0.281985D+01
      4  -0.148325D+02 -0.548601D+01 -0.344795D+01  0.106991D+02 -0.275699D+01
      5  -0.497485D+01 -0.220553D+01 -0.589348D+00  0.403538D+00 -0.592167D+01
      6  -0.453233D+01 -0.100696D+01  0.341789D+01 -0.432706D+01 -0.967204D+01
                96            97            98            99           100 
      1   0.363908D+01  0.421405D+01  0.610394D+00 -0.526867D+01 -0.950789D+01
      2  -0.556749D+01 -0.697584D+01 -0.821286D+01 -0.429364D+01  0.726611D+01
      3   0.192841D+01  0.276179D+01  0.760246D+01  0.956230D+01  0.224178D+01
      4  -0.538859D+01 -0.316317D+01 -0.911493D+01  0.138263D+02 -0.194003D+01
      5   0.727836D+01  0.117285D+02  0.143529D+02  0.852349D+01 -0.366304D+01
      6   0.347520D+01  0.622902D+01  0.138975D+02  0.345361D+01  0.113705D+01
               101           102           103           104           105 
      1  -0.295103D+01 -0.444775D+01  0.966650D+01 -0.218587D+02 -0.742953D+01
      2   0.239371D+01  0.213200D+01 -0.781179D+01  0.184484D+02  0.847163D+01
      3   0.557323D+00  0.231575D+01 -0.185471D+01  0.341029D+01 -0.104210D+01
      4   0.214059D+02  0.118655D+01 -0.185589D+02 -0.368981D+01 -0.338236D+01
      5   0.887267D+00  0.133253D+02 -0.115105D+02 -0.129727D+01  0.717933D+00
      6   0.564749D+00  0.164305D+01 -0.301007D+01  0.330442D+01 -0.136831D+01
               106           107           108           109           110 
      1  -0.397626D+01 -0.874441D+01  0.143118D+02 -0.209984D+01  0.227952D+02
      2  -0.401020D+00  0.638382D+01 -0.166091D+02 -0.192648D+01 -0.151988D+02
      3   0.437728D+01  0.236059D+01  0.229728D+01  0.402633D+01 -0.759635D+01
      4  -0.123718D+02 -0.132597D+01  0.242468D+01  0.152594D+02  0.340336D+01
      5   0.346415D+02  0.326024D+01  0.462753D+01  0.150705D+00  0.647217D+00
      6   0.163125D+01  0.473596D+01 -0.380016D+01  0.490104D+00 -0.211525D+01
               111           112           113           114           115 
      1   0.473955D+01 -0.267143D+02  0.532793D+01  0.358925D+00 -0.791808D+01
      2  -0.834285D+00  0.237969D+02 -0.832226D+01 -0.891905D+00  0.975389D+01
      3  -0.390527D+01  0.291744D+01  0.299433D+01  0.532980D+00 -0.183581D+01
      4   0.207822D+01  0.182273D+01  0.956156D+01  0.821034D+01 -0.149158D+01
      5   0.535468D+01 -0.522091D+01  0.689223D+01 -0.780016D+01  0.184596D+02
      6  -0.530979D+01  0.656206D+01 -0.562544D+01  0.325888D+01 -0.713505D+01
               116           117           118           119           120 
      1   0.434472D+01  0.253376D+01  0.115650D+02 -0.110352D+02 -0.227126D+00
      2  -0.735971D+01 -0.812077D+01 -0.737264D+01  0.921177D+01  0.230754D+00
      3   0.301499D+01  0.558700D+01 -0.419233D+01  0.182343D+01 -0.362785D-02
      4   0.871421D+01 -0.149104D+02 -0.740168D+01 -0.179407D+02 -0.319321D+01
      5  -0.150833D+02 -0.763274D+01  0.675162D+00 -0.219033D+01 -0.383803D+01
      6   0.116154D+02 -0.673523D+00 -0.145942D+01 -0.955556D+00  0.336151D+01
               121           122           123           124           125 
      1  -0.575514D+00  0.863253D+01  0.473989D+01  0.192254D+01  0.336244D+01
      2  -0.839577D+01 -0.119011D+02 -0.696635D+01 -0.438883D+01 -0.100979D+02
      3   0.897128D+01  0.326856D+01  0.222646D+01  0.246629D+01  0.673541D+01
      4   0.110001D+02 -0.131261D+02 -0.182110D+01 -0.581709D+00 -0.300592D+01
      5  -0.574564D+00 -0.227591D+01 -0.639317D+00  0.339718D+01 -0.528545D+01
      6  -0.495659D+01 -0.981869D+01  0.289707D+01  0.185970D+01  0.137881D+02
               126           127           128           129           130 
      1  -0.154218D+02 -0.495315D+01  0.745849D+01  0.871462D+00  0.792332D+01
      2   0.114270D+01  0.674250D+01 -0.106792D+02 -0.893177D+00 -0.108851D+02
      3   0.142791D+02 -0.178935D+01  0.322073D+01  0.217153D-01  0.296174D+01
      4  -0.656857D+01 -0.863649D+01  0.860950D+01  0.103486D+01  0.804135D+01
      5  -0.393621D+01 -0.101058D+01  0.112985D+01  0.183929D+01  0.126090D+01
      6   0.423654D+01  0.903147D+00 -0.132257D+01 -0.254827D+01 -0.224318D+01
               131           132           133           134           135 
      1  -0.200536D+02 -0.324610D+01  0.131889D+01 -0.327563D+01 -0.600556D+00
      2   0.272128D+02  0.260462D+01 -0.181511D+01  0.394432D+01  0.121240D+01
      3  -0.715922D+01  0.641477D+00  0.496224D+00 -0.668691D+00 -0.611847D+00
      4  -0.877693D+01 -0.941046D+00  0.117794D+01 -0.103352D+01 -0.183366D+01
      5  -0.123558D+01 -0.129293D+01  0.100900D+01 -0.670594D+00 -0.840158D+00
      6   0.429793D+01  0.514469D+01 -0.804523D+00  0.194528D+01  0.126232D+01
               136           137           138           139           140 
      1   0.532171D+01  0.449406D+01  0.863316D+00 -0.603977D+00 -0.150929D+02
      2   0.302879D+01  0.502009D+01  0.278665D+00  0.106000D+02  0.359823D+02
      3  -0.835051D+01 -0.951415D+01 -0.114198D+01 -0.999601D+01 -0.208894D+02
      4   0.179450D+02  0.222854D+02  0.467240D+01  0.231862D+02  0.448778D+02
      5   0.413598D+01  0.468824D+01  0.462901D+01  0.497132D+01  0.880866D+01
      6   0.306723D+01  0.366172D+01  0.294847D+01  0.489208D+01  0.119645D+02
               141           142           143           144           145 
      1  -0.330866D+01  0.224892D+00 -0.280661D+01 -0.210048D+01  0.957537D+02
      2   0.488754D+01  0.175725D+01  0.657001D+01  0.265889D+01 -0.539447D+02
      3  -0.157888D+01 -0.198214D+01 -0.376340D+01 -0.558413D+00 -0.418090D+02
      4   0.889311D+01  0.544687D+01  0.102064D+02  0.352130D+01  0.125593D+02
      5   0.638605D+01  0.202521D+01  0.291782D+01  0.230575D+01  0.937883D+01
      6   0.898628D+01  0.204468D+01  0.496282D+01  0.328327D+01 -0.181167D+01
               146           147           148           149           150 
      1   0.835412D+01  0.591042D+01  0.707482D+01  0.939039D+01  0.169292D+01
      2  -0.408260D+01 -0.407227D+01 -0.311545D+01 -0.432133D+01 -0.135419D+01
      3  -0.427152D+01 -0.183815D+01 -0.395937D+01 -0.506906D+01 -0.338734D+00
      4   0.958919D+01  0.483527D+00  0.151319D+02  0.415934D+01  0.130001D+01
      5   0.506595D+00  0.109646D+02  0.324397D+01  0.145716D+01  0.144200D+01
      6   0.295088D+00  0.609210D+00  0.795911D+00 -0.106385D+00  0.155490D+01
               151           152           153           154           155 
      1   0.759093D+01  0.196905D+01  0.339597D+01  0.208217D+02 -0.130597D+02
      2  -0.429377D+01 -0.109882D+01 -0.232733D+01 -0.363108D+01 -0.129167D+01
      3  -0.329716D+01 -0.870232D+00 -0.106863D+01 -0.171907D+02  0.143514D+02
      4   0.370525D+01  0.146238D+01  0.765545D+00 -0.317624D+02  0.292840D+02
      5   0.351229D+01  0.477270D+00  0.154061D+01 -0.541782D+01  0.380677D+01
      6   0.166789D+00  0.757378D+00  0.339543D+00  0.200694D+01 -0.175970D+01
               156           157           158           159           160 
      1  -0.229493D+01 -0.888075D+01  0.304567D+01  0.748481D+00 -0.672746D+00
      2   0.853449D+00 -0.611429D+01  0.166639D+02  0.733618D+00 -0.115247D+01
      3   0.144148D+01  0.149950D+02 -0.197096D+02 -0.148210D+01  0.182522D+01
      4   0.375361D+01  0.324258D+02 -0.428614D+02 -0.646938D+01  0.505622D+01
      5   0.610860D+01  0.577699D+01 -0.670348D+01 -0.616719D+01  0.222044D+01
      6  -0.325535D+01 -0.359029D+01  0.495698D+01  0.597581D+01 -0.172107D+01
               161           162           163           164           165 
      1   0.358499D-01 -0.311730D+00 -0.517980D+01 -0.847182D+01 -0.253749D+01
      2   0.247322D+01  0.991859D+00  0.637767D+01  0.102233D+02  0.179801D+01
      3  -0.250907D+01 -0.680129D+00 -0.119787D+01 -0.175152D+01  0.739472D+00
      4  -0.662556D+01 -0.285085D+01  0.368635D+01  0.705773D+01  0.135467D+01
      5  -0.231455D+01 -0.144768D+01  0.916049D+00  0.118716D+01  0.149940D+01
      6   0.273319D+01  0.173467D+01  0.237705D+01  0.354816D+01  0.253156D+01
               166           167           168           169           170 
      1  -0.735917D+01 -0.313297D+02 -0.767821D+01 -0.200634D+01 -0.748720D+01
      2   0.909025D+01  0.412833D+02  0.702769D+01  0.231435D+01  0.885159D+01
      3  -0.173108D+01 -0.995358D+01  0.650515D+00 -0.308008D+00 -0.136440D+01
      4   0.527796D+01 -0.425438D+00 -0.531073D+00  0.144617D+01 -0.136000D-01
      5   0.102636D+01 -0.574697D+00 -0.209905D+00  0.859104D+00  0.620106D+00
      6   0.286221D+01  0.121358D+02  0.874628D+01  0.105440D+01  0.448343D+01
               171 
      1  -0.293812D+01
      2   0.311869D+01
      3  -0.180574D+00
      4   0.137990D+01
      5   0.583684D+00
      6   0.329238D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:44:03 2021, MaxMem=  5368709120 cpu:            6330.8 elap:             793.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.26707 -10.35633 -10.30976 -10.30646 -10.30569
 Alpha  occ. eigenvalues --  -10.30554 -10.30463 -10.30272 -10.28863  -1.11730
 Alpha  occ. eigenvalues --   -0.95991  -0.87638  -0.84444  -0.82226  -0.72489
 Alpha  occ. eigenvalues --   -0.70262  -0.67296  -0.62531  -0.59876  -0.56244
 Alpha  occ. eigenvalues --   -0.53656  -0.52676  -0.51137  -0.50908  -0.47313
 Alpha  occ. eigenvalues --   -0.46648  -0.45762  -0.44722  -0.43038  -0.41151
 Alpha  occ. eigenvalues --   -0.37225  -0.33768  -0.32831
 Alpha virt. eigenvalues --    0.04990   0.05133   0.08219   0.10385   0.10936
 Alpha virt. eigenvalues --    0.11693   0.13346   0.13533   0.14110   0.16878
 Alpha virt. eigenvalues --    0.17013   0.18135   0.19107   0.19923   0.20934
 Alpha virt. eigenvalues --    0.21945   0.22151   0.22262   0.23200   0.23475
 Alpha virt. eigenvalues --    0.24192   0.25254   0.26208   0.26604   0.27590
 Alpha virt. eigenvalues --    0.28760   0.29833   0.30292   0.31139   0.31765
 Alpha virt. eigenvalues --    0.32368   0.32656   0.33507   0.34804   0.35597
 Alpha virt. eigenvalues --    0.35814   0.36320   0.37245   0.37659   0.38716
 Alpha virt. eigenvalues --    0.39215   0.40127   0.40491   0.41128   0.41534
 Alpha virt. eigenvalues --    0.41823   0.42711   0.43119   0.43948   0.44666
 Alpha virt. eigenvalues --    0.44906   0.45510   0.46312   0.46932   0.47167
 Alpha virt. eigenvalues --    0.47350   0.47840   0.48986   0.49305   0.49421
 Alpha virt. eigenvalues --    0.49903   0.50115   0.50551   0.50802   0.51817
 Alpha virt. eigenvalues --    0.52270   0.52848   0.53442   0.54730   0.56070
 Alpha virt. eigenvalues --    0.56484   0.57007   0.57787   0.58420   0.59482
 Alpha virt. eigenvalues --    0.59958   0.60912   0.61966   0.62589   0.62986
 Alpha virt. eigenvalues --    0.63660   0.65148   0.65858   0.66348   0.67359
 Alpha virt. eigenvalues --    0.67631   0.69269   0.70684   0.70987   0.71422
 Alpha virt. eigenvalues --    0.72231   0.73263   0.74039   0.75680   0.75910
 Alpha virt. eigenvalues --    0.77882   0.78653   0.80498   0.80813   0.82173
 Alpha virt. eigenvalues --    0.83396   0.84750   0.85501   0.87009   0.88692
 Alpha virt. eigenvalues --    0.90259   0.90646   0.92146   0.92981   0.97004
 Alpha virt. eigenvalues --    0.98627   1.01926   1.03067   1.04211   1.05474
 Alpha virt. eigenvalues --    1.06237   1.06814   1.06918   1.07814   1.09354
 Alpha virt. eigenvalues --    1.10908   1.12188   1.12256   1.13449   1.15496
 Alpha virt. eigenvalues --    1.17996   1.19083   1.20809   1.21269   1.22958
 Alpha virt. eigenvalues --    1.23373   1.25453   1.26084   1.27975   1.28439
 Alpha virt. eigenvalues --    1.31388   1.31994   1.32820   1.35973   1.36787
 Alpha virt. eigenvalues --    1.39525   1.42096   1.43171   1.44192   1.46029
 Alpha virt. eigenvalues --    1.48113   1.49499   1.56733   1.57892   1.58130
 Alpha virt. eigenvalues --    1.64796   1.66501   1.67359   1.67541   1.69943
 Alpha virt. eigenvalues --    1.70901   1.73397   1.74216   1.78357   1.80597
 Alpha virt. eigenvalues --    1.81008   1.83757   1.85462   1.85965   1.90026
 Alpha virt. eigenvalues --    1.91510   1.93804   1.95273   1.96298   1.97626
 Alpha virt. eigenvalues --    1.98340   2.00406   2.01617   2.05131   2.07370
 Alpha virt. eigenvalues --    2.08835   2.10038   2.11161   2.12346   2.13762
 Alpha virt. eigenvalues --    2.14495   2.15789   2.18621   2.18819   2.23527
 Alpha virt. eigenvalues --    2.26008   2.27223   2.29502   2.33473   2.34909
 Alpha virt. eigenvalues --    2.36122   2.40694   2.41543   2.43913   2.44766
 Alpha virt. eigenvalues --    2.46977   2.49325   2.49704   2.50740   2.54703
 Alpha virt. eigenvalues --    2.55384   2.57107   2.60864   2.62735   2.64943
 Alpha virt. eigenvalues --    2.66973   2.74245   2.75170   2.78308   2.86097
 Alpha virt. eigenvalues --    2.92167   2.93256   2.95196   2.95936   3.01706
 Alpha virt. eigenvalues --    3.06358   3.10529   3.11734   3.15568   3.16670
 Alpha virt. eigenvalues --    3.18704   3.21150   3.22629   3.29438   3.30575
 Alpha virt. eigenvalues --    3.32403   3.43766   3.64707   3.79762   4.04728
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.357468  -0.060254   0.140234  -0.002805  -0.025650  -0.085589
     2  C   -0.060254   5.819740   0.164106   0.175753   0.474060   0.228153
     3  H    0.140234   0.164106   0.630484  -0.022394   0.014634  -0.005401
     4  H   -0.002805   0.175753  -0.022394   1.023142  -0.034986  -0.141293
     5  C   -0.025650   0.474060   0.014634  -0.034986   4.250439  -0.012147
     6  C   -0.085589   0.228153  -0.005401  -0.141293  -0.012147   8.607832
     7  H   -0.003223   0.046374   0.003558  -0.003546   0.292999   0.011363
     8  H   -0.013448   0.127122  -0.000281   0.010276   0.327536  -0.063937
     9  H    0.030472   0.027695  -0.003255  -0.002465   0.257300  -0.036567
    10  C   -0.035514  -0.440869  -0.055027   0.066140  -0.038091  -0.445698
    11  C    0.024050   0.032872   0.003572   0.001493   0.001438   0.380088
    12  C   -0.001911   0.054709  -0.000185   0.000710   0.002939  -0.230875
    13  C    0.000478   0.014765  -0.001532   0.010997   0.000976   0.330662
    14  C    0.033497  -0.438329  -0.016256  -0.056797  -0.009447  -0.380450
    15  H    0.002886  -0.259356  -0.028036   0.006445  -0.002766  -0.869553
    16  H   -0.001653   0.013386   0.000363  -0.000029   0.000532   0.048195
    17  H    0.000224  -0.006835  -0.000047  -0.000001  -0.000202   0.125207
    18  H   -0.001274   0.017077   0.000199  -0.001778   0.000419  -0.018141
    19  H    0.019158  -0.261677  -0.006671   0.030235  -0.009004  -0.660051
               7          8          9         10         11         12
     1  O   -0.003223  -0.013448   0.030472  -0.035514   0.024050  -0.001911
     2  C    0.046374   0.127122   0.027695  -0.440869   0.032872   0.054709
     3  H    0.003558  -0.000281  -0.003255  -0.055027   0.003572  -0.000185
     4  H   -0.003546   0.010276  -0.002465   0.066140   0.001493   0.000710
     5  C    0.292999   0.327536   0.257300  -0.038091   0.001438   0.002939
     6  C    0.011363  -0.063937  -0.036567  -0.445698   0.380088  -0.230875
     7  H    0.543251  -0.002176  -0.003682   0.005621  -0.000725  -0.000194
     8  H   -0.002176   0.600506   0.004065  -0.003479   0.000376   0.000341
     9  H   -0.003682   0.004065   0.687839   0.008503  -0.001182  -0.000820
    10  C    0.005621  -0.003479   0.008503   7.441384  -0.500178   0.470776
    11  C   -0.000725   0.000376  -0.001182  -0.500178   6.479385  -0.030537
    12  C   -0.000194   0.000341  -0.000820   0.470776  -0.030537   6.133886
    13  C   -0.000516   0.000716  -0.003177  -0.115235   0.503602   0.155381
    14  C    0.003472  -0.004179   0.018295  -0.073698  -0.115994   0.425929
    15  H    0.002385   0.004587  -0.000186   0.272675  -0.359613  -0.045443
    16  H   -0.000044  -0.000642   0.000110  -0.286346   0.093016  -0.410323
    17  H    0.000005  -0.000013   0.000057  -0.028106  -0.312359   0.124209
    18  H   -0.000015   0.000117  -0.000903   0.116874  -0.037216  -0.355514
    19  H    0.000644  -0.001382   0.015628   0.074107   0.135515  -0.088281
              13         14         15         16         17         18
     1  O    0.000478   0.033497   0.002886  -0.001653   0.000224  -0.001274
     2  C    0.014765  -0.438329  -0.259356   0.013386  -0.006835   0.017077
     3  H   -0.001532  -0.016256  -0.028036   0.000363  -0.000047   0.000199
     4  H    0.010997  -0.056797   0.006445  -0.000029  -0.000001  -0.001778
     5  C    0.000976  -0.009447  -0.002766   0.000532  -0.000202   0.000419
     6  C    0.330662  -0.380450  -0.869553   0.048195   0.125207  -0.018141
     7  H   -0.000516   0.003472   0.002385  -0.000044   0.000005  -0.000015
     8  H    0.000716  -0.004179   0.004587  -0.000642  -0.000013   0.000117
     9  H   -0.003177   0.018295  -0.000186   0.000110   0.000057  -0.000903
    10  C   -0.115235  -0.073698   0.272675  -0.286346  -0.028106   0.116874
    11  C    0.503602  -0.115994  -0.359613   0.093016  -0.312359  -0.037216
    12  C    0.155381   0.425929  -0.045443  -0.410323   0.124209  -0.355514
    13  C    6.165821  -0.231504   0.163017  -0.085125  -0.251297   0.007554
    14  C   -0.231504   7.325158   0.036561   0.129502  -0.041559  -0.306996
    15  H    0.163017   0.036561   2.036460  -0.465342   0.049841  -0.016550
    16  H   -0.085125   0.129502  -0.465342   2.053069  -0.466523   0.055022
    17  H   -0.251297  -0.041559   0.049841  -0.466523   1.911154  -0.468133
    18  H    0.007554  -0.306996  -0.016550   0.055022  -0.468133   2.148982
    19  H   -0.336160   0.205066   0.042356  -0.016217   0.051823  -0.492838
              19
     1  O    0.019158
     2  C   -0.261677
     3  H   -0.006671
     4  H    0.030235
     5  C   -0.009004
     6  C   -0.660051
     7  H    0.000644
     8  H   -0.001382
     9  H    0.015628
    10  C    0.074107
    11  C    0.135515
    12  C   -0.088281
    13  C   -0.336160
    14  C    0.205066
    15  H    0.042356
    16  H   -0.016217
    17  H    0.051823
    18  H   -0.492838
    19  H    1.829196
 Mulliken charges:
               1
     1  O   -0.377146
     2  C    0.271507
     3  H    0.181935
     4  H   -0.059099
     5  C    0.509020
     6  C   -0.781800
     7  H    0.104449
     8  H    0.013895
     9  H    0.002272
    10  C   -0.433837
    11  C   -0.297603
    12  C   -0.204798
    13  C   -0.329423
    14  C   -0.502271
    15  H    0.429632
    16  H    0.339048
    17  H    0.312553
    18  H    0.353115
    19  H    0.468551
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.195212
     2  C    0.212408
     5  C    0.629636
     6  C   -0.781800
    10  C   -0.004206
    11  C    0.041445
    12  C    0.107756
    13  C    0.023692
    14  C   -0.033720
 Electronic spatial extent (au):  <R**2>=           1266.7677
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.1778    Y=             -0.7875    Z=             -0.3659  Tot=              1.4633
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -55.7364   YY=            -50.9418   ZZ=            -54.2529
   XY=              2.6818   XZ=             -0.0880   YZ=              0.8520
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -2.0927   YY=              2.7019   ZZ=             -0.6092
   XY=              2.6818   XZ=             -0.0880   YZ=              0.8520
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             19.5954  YYY=              2.2242  ZZZ=            -11.1636  XYY=              2.1544
  XXY=             -7.4545  XXZ=              4.8055  XZZ=            -13.1413  YZZ=              4.1002
  YYZ=             -1.8922  XYZ=              2.2200
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1158.2554 YYYY=           -330.8233 ZZZZ=           -174.5773 XXXY=             17.1848
 XXXZ=             -5.8254 YYYX=             -3.8945 YYYZ=              5.3221 ZZZX=             20.9234
 ZZZY=            -12.2279 XXYY=           -246.7334 XXZZ=           -234.1570 YYZZ=            -87.8735
 XXYZ=              7.0935 YYXZ=              5.0233 ZZXY=             -6.9978
 N-N= 4.256397218681D+02 E-N=-1.746121612375D+03  KE= 3.814049226236D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:44:04 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.30597404D-01-2.82856063D-01-1.67595774D-01
 Polarizability= 1.19740572D+02 9.78013254D-01 9.74025097D+01
                 3.90203320D-01 5.10432669D+00 6.74324891D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3285   -0.3296        0.3684    0.3646
 2      0.3285    0.3296       -2.5514   -2.5511      -11.7645  -11.7681
 3     -0.3684   -0.3646       26.7390   26.7394        2.5509    2.5511
 4      2.5514    2.5511       -0.0000    0.0000       -0.3672   -0.3646
 5    -14.9745  -14.9712        0.3672    0.3646       -0.3286   -0.3296
 6     -2.5509   -2.5511        0.3286    0.3296       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9887    0.9887        1.0937    1.0937
 2      7.6533    7.6533        0.0000    0.0000        1.0937    1.0937
 3      7.6533    7.6533        0.9887    0.9887        0.0000    0.0000
 4      0.9887    0.9887       -7.6533   -7.6533      -35.3043  -35.3043
 5     -1.0937   -1.0937       80.2181   80.2181        7.6533    7.6533
 6    -44.9137  -44.9137        1.0937    1.0937       -0.9887   -0.9887
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0008    0.0000        1.2932    1.3183       -1.5464   -1.4583
 2     -1.3497   -1.3183       10.3707   10.2044       47.1466   47.0725
 3      1.3914    1.4583     -106.9797 -106.9574      -10.1379  -10.2044
 4    -10.4924  -10.2044        0.0274    0.0000        1.4485    1.4583
 5     59.8201   59.8850       -1.5519   -1.4583        1.2574    1.3183
 6     10.3722   10.2044       -1.4350   -1.3183        0.0061    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0251    0.0000       -3.5759   -3.5836       -7.9160   -7.8914
 2      3.6962    3.5836      -47.3411  -47.2291      -28.1138  -27.8039
 3      8.0225    7.8914      -23.2791  -22.9412       47.1821   47.2291
 4     47.0890   47.2291       -0.0600    0.0000        8.0706    7.8914
 5     50.9525   50.7451       -8.1098   -7.8914       -3.3462   -3.5836
 6    -47.0476  -47.2291        3.5960    3.5836       -0.1894    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     29.8050   29.7931        6.8757    6.8182       21.6972   21.6402
 2    100.5299  100.7826        3.3152    3.3191       21.9707   21.6402
 3    100.4972  100.7826        6.7677    6.8182       20.8437   20.5374
 4      3.5155    3.4991      -70.9798  -70.9895      -32.6233  -32.4944
 5     -0.9089   -1.1028      -39.7649  -39.4759       70.9914   70.9895
 6     72.2329   71.9703        0.9875    1.1028       -2.8935   -3.4991
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.8089   -0.4215   -0.0005   -0.0002    0.0002    1.4241
 Low frequencies ---   43.0112  128.5765  208.3018
 Diagonal vibrational polarizability:
       26.4278951       9.1330609      23.0022617
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     43.0060               128.5765               208.3017
 Red. masses --      3.4412                 3.4053                 2.2256
 Frc consts  --      0.0037                 0.0332                 0.0569
 IR Inten    --      0.8160                 0.1614                 0.2897
 RamAct Fr= 1--      3.9119                 4.4595                 0.2360
  Dep-P Fr= 1--      0.7486                 0.7463                 0.2989
  Dep-U Fr= 1--      0.8563                 0.8547                 0.4602
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0024
 Beta2  Fr= 1--      0.5583                 0.6353                 0.0181
 AlphaG Fr= 1--      0.0007                 0.0007                -0.0019
 Gamma2 Fr= 1--     -0.1923                -0.3945                -0.1107
 Delta2 Fr= 1--     -0.4721                -0.1542                -0.0431
 Raman1 Fr= 1--      15.648                 17.838                  0.944
 ROA1   Fr= 1--     -33.569                -42.809                -12.009
 CID1   Fr= 1--      -2.145                 -2.400                -12.722
 Raman2 Fr= 1--       6.699                  7.623                  0.217
 ROA2   Fr= 1--      -0.838                 -8.236                 -2.313
 CID2   Fr= 1--      -0.125                 -1.080                -10.648
 Raman3 Fr= 1--      13.399                 15.246                  0.434
 ROA3   Fr= 1--     -33.569                -42.809                -12.009
 CID3   Fr= 1--      -2.505                 -2.808                -27.643
 RC180  Fr= 1--       0.713                  0.709                 -0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.14  -0.15    -0.14  -0.05   0.01     0.11   0.09   0.04
     2   6    -0.00  -0.04   0.07    -0.00   0.01  -0.04    -0.01  -0.03  -0.01
     3   1     0.10  -0.27  -0.14    -0.31  -0.10  -0.09     0.17   0.12   0.08
     4   1    -0.00  -0.13   0.23    -0.05  -0.03   0.04    -0.16   0.01  -0.02
     5   6    -0.04   0.23   0.07     0.23   0.07   0.08     0.05   0.07   0.03
     6   6    -0.00  -0.03   0.05    -0.00   0.04  -0.18    -0.01  -0.12  -0.05
     7   1    -0.04   0.23   0.07     0.22  -0.01   0.29    -0.02   0.54   0.10
     8   1    -0.04   0.33  -0.09     0.28   0.12  -0.02     0.48  -0.08   0.13
     9   1    -0.07   0.32   0.23     0.38   0.13   0.07    -0.26  -0.17  -0.11
    10   6    -0.02  -0.05   0.17    -0.00   0.02  -0.11    -0.09  -0.09  -0.05
    11   6    -0.02  -0.03   0.13    -0.01  -0.03   0.08    -0.12   0.01  -0.01
    12   6     0.00   0.01  -0.03    -0.03  -0.05   0.20    -0.05   0.06   0.02
    13   6     0.02   0.04  -0.16    -0.02  -0.02   0.05     0.04   0.03   0.01
    14   6     0.02   0.01  -0.12    -0.01   0.03  -0.14     0.05  -0.08  -0.03
    15   1    -0.04  -0.08   0.29     0.00   0.03  -0.15    -0.16  -0.14  -0.07
    16   1    -0.04  -0.04   0.23    -0.01  -0.05   0.18    -0.19   0.04  -0.00
    17   1     0.00   0.03  -0.07    -0.04  -0.10   0.39    -0.06   0.13   0.06
    18   1     0.04   0.07  -0.29    -0.03  -0.04   0.11     0.10   0.07   0.04
    19   1     0.03   0.03  -0.21    -0.01   0.04  -0.21     0.12  -0.11  -0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    252.9601               306.7412               330.7528
 Red. masses --      1.3608                 3.1480                 1.2919
 Frc consts  --      0.0513                 0.1745                 0.0833
 IR Inten    --      4.6172                 2.1068                95.9145
 RamAct Fr= 1--      0.1342                 1.8290                 0.6982
  Dep-P Fr= 1--      0.3003                 0.2335                 0.4880
  Dep-U Fr= 1--      0.4619                 0.3786                 0.6560
 Alpha2 Fr= 1--      0.0014                 0.0227                 0.0036
 Beta2  Fr= 1--      0.0103                 0.1154                 0.0763
 AlphaG Fr= 1--      0.0024                -0.0084                 0.0043
 Gamma2 Fr= 1--     -0.0132                -0.9747                -0.4879
 Delta2 Fr= 1--      0.0161                -0.2510                -0.4573
 Raman1 Fr= 1--       0.537                  7.316                  2.793
 ROA1   Fr= 1--      -0.757               -101.606                -61.471
 CID1   Fr= 1--      -1.411                -13.889                -22.010
 Raman2 Fr= 1--       0.124                  1.385                  0.916
 ROA2   Fr= 1--      -0.446                -21.386                 -8.051
 CID2   Fr= 1--      -3.600                -15.443                 -8.789
 Raman3 Fr= 1--       0.248                  2.770                  1.832
 ROA3   Fr= 1--      -0.757               -101.606                -61.471
 CID3   Fr= 1--      -3.055                -36.686                -33.555
 RC180  Fr= 1--      -0.076                 -0.243                  0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07  -0.08  -0.04     0.04   0.01  -0.13     0.04  -0.05  -0.03
     2   6     0.00   0.00   0.01     0.02   0.03  -0.09     0.01  -0.02   0.04
     3   1     0.03   0.02   0.03     0.22   0.12  -0.02     0.69   0.51   0.41
     4   1     0.06  -0.03   0.04     0.04   0.03  -0.09     0.04  -0.04   0.06
     5   6    -0.01  -0.02   0.00     0.25  -0.05  -0.00    -0.01  -0.02   0.04
     6   6     0.00   0.06   0.01    -0.03   0.04   0.03    -0.01   0.02   0.00
     7   1    -0.07   0.51  -0.02     0.23  -0.13   0.26     0.01  -0.11   0.02
     8   1     0.43  -0.27   0.25     0.34  -0.07   0.01    -0.09   0.01   0.02
     9   1    -0.40  -0.37  -0.23     0.45  -0.04  -0.15     0.05   0.03   0.07
    10   6     0.04   0.05   0.02    -0.06   0.01   0.15    -0.01   0.03  -0.05
    11   6     0.05   0.00   0.00    -0.05   0.00   0.04    -0.00   0.01  -0.03
    12   6     0.02  -0.02  -0.00    -0.08   0.01  -0.14    -0.03  -0.02   0.05
    13   6    -0.02  -0.00   0.00    -0.10  -0.03   0.03    -0.04  -0.00  -0.01
    14   6    -0.02   0.04   0.01    -0.09  -0.02   0.14    -0.03   0.02  -0.06
    15   1     0.07   0.07   0.03    -0.06  -0.00   0.23     0.01   0.04  -0.04
    16   1     0.08  -0.01  -0.00    -0.01  -0.02   0.04     0.01   0.01  -0.04
    17   1     0.03  -0.05  -0.00    -0.06   0.02  -0.33    -0.03  -0.05   0.12
    18   1    -0.05  -0.03  -0.00    -0.10  -0.03   0.04    -0.04  -0.01  -0.01
    19   1    -0.05   0.06   0.00    -0.15  -0.01   0.21    -0.05   0.04  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    365.9565               415.0659               486.0605
 Red. masses --      2.5350                 2.9362                 3.5055
 Frc consts  --      0.2000                 0.2980                 0.4879
 IR Inten    --     38.2350                 0.5618                 5.9583
 RamAct Fr= 1--      2.0282                 0.0220                 2.7535
  Dep-P Fr= 1--      0.3942                 0.6422                 0.1242
  Dep-U Fr= 1--      0.5655                 0.7821                 0.2209
 Alpha2 Fr= 1--      0.0153                 0.0000                 0.0454
 Beta2  Fr= 1--      0.1912                 0.0029                 0.1014
 AlphaG Fr= 1--     -0.0102                -0.0017                 0.0012
 Gamma2 Fr= 1--      0.4361                -0.1914                 0.1321
 Delta2 Fr= 1--      0.0114                -0.0242                -0.0108
 Raman1 Fr= 1--       8.113                  0.088                 11.014
 ROA1   Fr= 1--      42.232                -19.147                 12.335
 CID1   Fr= 1--       5.206               -217.247                  1.120
 Raman2 Fr= 1--       2.294                  0.034                  1.217
 ROA2   Fr= 1--      10.376                 -4.399                  3.257
 CID2   Fr= 1--       4.523               -127.631                  2.678
 Raman3 Fr= 1--       4.588                  0.069                  2.433
 ROA3   Fr= 1--      42.232                -19.147                 12.335
 CID3   Fr= 1--       9.205               -277.765                  5.070
 RC180  Fr= 1--       0.131                  0.564                 -0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.22   0.01  -0.03    -0.01  -0.01  -0.01     0.06  -0.11   0.21
     2   6     0.04   0.00   0.08    -0.01   0.00  -0.00     0.19  -0.12  -0.05
     3   1    -0.20  -0.66  -0.37     0.09   0.09   0.06    -0.17   0.05   0.12
     4   1     0.05  -0.01   0.10    -0.01   0.00   0.00     0.26  -0.11  -0.10
     5   6     0.00  -0.09   0.07    -0.00  -0.00   0.00     0.04   0.09  -0.16
     6   6    -0.01   0.05   0.06    -0.00   0.00  -0.01     0.07   0.07  -0.03
     7   1     0.00  -0.10   0.04    -0.00  -0.00   0.01     0.04   0.30  -0.40
     8   1    -0.01  -0.18   0.20     0.01  -0.00   0.00     0.06   0.23  -0.39
     9   1     0.01  -0.16  -0.04    -0.00  -0.00  -0.00    -0.25   0.16   0.16
    10   6    -0.02   0.08  -0.06     0.02   0.04  -0.21    -0.04   0.10   0.02
    11   6    -0.03   0.03  -0.02    -0.01  -0.05   0.20    -0.04   0.03   0.03
    12   6    -0.08  -0.04   0.07     0.01   0.00  -0.00    -0.12  -0.03  -0.05
    13   6    -0.08  -0.00  -0.06     0.02   0.04  -0.20    -0.08  -0.06   0.00
    14   6    -0.07   0.04  -0.05    -0.01  -0.04   0.21    -0.06   0.00   0.01
    15   1    -0.02   0.10  -0.17     0.03   0.09  -0.42    -0.07   0.07   0.04
    16   1     0.03   0.01  -0.05    -0.03  -0.10   0.45     0.05  -0.02   0.07
    17   1    -0.08  -0.09   0.16     0.01   0.00  -0.01    -0.12  -0.04  -0.09
    18   1    -0.09   0.00  -0.11     0.03   0.09  -0.43    -0.07  -0.05   0.03
    19   1    -0.13   0.08  -0.11    -0.02  -0.10   0.45    -0.18   0.04   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    551.7200               620.3149               637.8217
 Red. masses --      2.9885                 3.9987                 6.3591
 Frc consts  --      0.5360                 0.9066                 1.5242
 IR Inten    --     17.7591                 8.2829                 0.3923
 RamAct Fr= 1--      0.4219                 1.1409                 4.6127
  Dep-P Fr= 1--      0.3377                 0.7001                 0.7377
  Dep-U Fr= 1--      0.5049                 0.8236                 0.8491
 Alpha2 Fr= 1--      0.0039                 0.0010                 0.0010
 Beta2  Fr= 1--      0.0355                 0.1566                 0.6528
 AlphaG Fr= 1--      0.0005                -0.0021                -0.0036
 Gamma2 Fr= 1--      0.0592                 0.2441                 0.0137
 Delta2 Fr= 1--     -0.0194                -0.0271                -0.0087
 Raman1 Fr= 1--       1.688                  4.564                 18.451
 ROA1   Fr= 1--       5.059                 22.570                  1.036
 CID1   Fr= 1--       2.998                  4.946                  0.056
 Raman2 Fr= 1--       0.426                  1.879                  7.833
 ROA2   Fr= 1--       1.575                  6.077                  0.397
 CID2   Fr= 1--       3.696                  3.233                  0.051
 Raman3 Fr= 1--       0.852                  3.759                 15.666
 ROA3   Fr= 1--       5.059                 22.570                  1.036
 CID3   Fr= 1--       5.938                  6.005                  0.066
 RC180  Fr= 1--       0.010                  0.647                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07   0.01   0.00    -0.12   0.01  -0.08    -0.02   0.03  -0.03
     2   6     0.01  -0.00  -0.07     0.18   0.22   0.11     0.02   0.04   0.02
     3   1    -0.11   0.13   0.00    -0.06   0.10  -0.02     0.01   0.04  -0.01
     4   1     0.09   0.04  -0.15     0.19   0.17   0.20     0.04   0.03   0.03
     5   6     0.08   0.03  -0.09     0.00   0.01   0.02    -0.01   0.00   0.03
     6   6    -0.01  -0.06   0.27     0.19  -0.04   0.01     0.01   0.13   0.03
     7   1     0.06   0.07   0.05     0.05  -0.14  -0.33    -0.00  -0.03  -0.01
     8   1     0.20   0.07  -0.19    -0.31  -0.16   0.38    -0.05  -0.03   0.09
     9   1     0.13   0.07  -0.07    -0.06  -0.13  -0.15    -0.00  -0.02  -0.02
    10   6    -0.01  -0.01   0.05     0.01   0.01   0.00    -0.26   0.18   0.01
    11   6    -0.00   0.02  -0.13    -0.05   0.11   0.02    -0.23  -0.25  -0.06
    12   6    -0.02  -0.04   0.18    -0.19   0.01  -0.01    -0.00  -0.14  -0.04
    13   6     0.02   0.02  -0.14     0.02  -0.10  -0.03     0.29  -0.22  -0.02
    14   6     0.00  -0.02   0.06     0.04  -0.21  -0.04     0.22   0.20   0.05
    15   1    -0.00   0.04  -0.24    -0.19  -0.13  -0.02    -0.16   0.25   0.05
    16   1     0.02   0.09  -0.48     0.03   0.07   0.03    -0.06  -0.33  -0.04
    17   1    -0.03  -0.03   0.21    -0.19   0.02   0.00    -0.06   0.28   0.06
    18   1     0.04   0.10  -0.48     0.21   0.04   0.01     0.18  -0.31  -0.02
    19   1     0.02   0.05  -0.23    -0.05  -0.17  -0.03     0.05   0.27   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    715.5722               778.1706               781.6813
 Red. masses --      1.7378                 2.0553                 3.0939
 Frc consts  --      0.5243                 0.7333                 1.1138
 IR Inten    --     43.1149                22.6151                 5.7145
 RamAct Fr= 1--      0.0273                 3.1595                11.4953
  Dep-P Fr= 1--      0.0242                 0.1663                 0.0193
  Dep-U Fr= 1--      0.0472                 0.2851                 0.0378
 Alpha2 Fr= 1--      0.0006                 0.0469                 0.2442
 Beta2  Fr= 1--      0.0002                 0.1501                 0.0725
 AlphaG Fr= 1--     -0.0015                 0.0110                -0.0312
 Gamma2 Fr= 1--      0.0014                 0.3369                 0.3621
 Delta2 Fr= 1--     -0.0018                -0.0309                 0.2980
 Raman1 Fr= 1--       0.109                 12.638                 45.981
 ROA1   Fr= 1--       0.081                 31.350                 44.301
 CID1   Fr= 1--       0.740                  2.481                  0.963
 Raman2 Fr= 1--       0.003                  1.802                  0.870
 ROA2   Fr= 1--       0.049                  8.331                  6.307
 CID2   Fr= 1--      18.949                  4.624                  7.249
 Raman3 Fr= 1--       0.005                  3.603                  1.740
 ROA3   Fr= 1--       0.081                 31.350                 44.301
 CID3   Fr= 1--      15.664                  8.701                 25.460
 RC180  Fr= 1--      -0.906                 -0.430                 -0.924
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00    -0.02   0.03  -0.01     0.01   0.04  -0.02
     2   6     0.00  -0.00   0.00    -0.07  -0.06  -0.04    -0.12  -0.13  -0.08
     3   1    -0.00  -0.02  -0.01    -0.02   0.01  -0.02     0.04  -0.02  -0.01
     4   1    -0.02  -0.00   0.02    -0.01   0.00  -0.14    -0.17  -0.06  -0.16
     5   6    -0.00   0.00  -0.00    -0.02  -0.02  -0.01    -0.08  -0.04   0.09
     6   6     0.00   0.02  -0.10     0.02  -0.03   0.18     0.07   0.04  -0.14
     7   1     0.00  -0.01  -0.03    -0.06   0.04   0.28    -0.13   0.06   0.37
     8   1    -0.03  -0.01   0.02     0.18   0.05  -0.17     0.13   0.06  -0.14
     9   1    -0.02  -0.01   0.00     0.08   0.06   0.04    -0.03   0.06   0.22
    10   6    -0.01  -0.02   0.07     0.02   0.08  -0.06     0.03   0.13   0.09
    11   6     0.01   0.03  -0.14     0.03   0.07   0.03     0.07   0.15   0.02
    12   6    -0.00  -0.01   0.07    -0.05   0.02  -0.12    -0.12  -0.04   0.08
    13   6     0.01   0.03  -0.14     0.03  -0.06  -0.01     0.07  -0.11  -0.03
    14   6    -0.01  -0.01   0.07     0.03  -0.03  -0.09     0.05  -0.09   0.04
    15   1    -0.03  -0.09   0.47    -0.01   0.04   0.01    -0.02   0.11   0.01
    16   1    -0.02  -0.05   0.20     0.09  -0.06   0.46     0.29   0.14  -0.31
    17   1    -0.03  -0.12   0.56    -0.09  -0.12   0.47    -0.08   0.02  -0.36
    18   1    -0.02  -0.05   0.22     0.07  -0.11   0.49     0.22   0.05  -0.32
    19   1    -0.04  -0.11   0.51    -0.02  -0.04   0.04    -0.03  -0.04  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    862.7160               917.7069               931.9910
 Red. masses --      1.2479                 2.1663                 1.4618
 Frc consts  --      0.5472                 1.0749                 0.7481
 IR Inten    --      0.1457                 9.8239                 6.9443
 RamAct Fr= 1--      1.4446                 3.4555                 1.3947
  Dep-P Fr= 1--      0.7319                 0.6486                 0.5890
  Dep-U Fr= 1--      0.8452                 0.7869                 0.7413
 Alpha2 Fr= 1--      0.0004                 0.0063                 0.0042
 Beta2  Fr= 1--      0.2035                 0.4532                 0.1723
 AlphaG Fr= 1--      0.0004                -0.0113                -0.0007
 Gamma2 Fr= 1--     -0.0610                 0.0182                -1.5014
 Delta2 Fr= 1--     -0.0342                -0.3977                 0.0713
 Raman1 Fr= 1--       5.779                 13.822                  5.579
 ROA1   Fr= 1--      -6.953                -10.980               -141.851
 CID1   Fr= 1--      -1.203                 -0.794                -25.427
 Raman2 Fr= 1--       2.442                  5.438                  2.068
 ROA2   Fr= 1--      -1.191                  3.618                -36.604
 CID2   Fr= 1--      -0.488                  0.665                -17.702
 Raman3 Fr= 1--       4.884                 10.876                  4.136
 ROA3   Fr= 1--      -6.953                -10.980               -141.851
 CID3   Fr= 1--      -1.424                 -1.010                -34.299
 RC180  Fr= 1--       0.690                  0.574                  0.483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.06   0.11  -0.09     0.02  -0.04   0.03
     2   6    -0.01   0.00  -0.01     0.15  -0.08  -0.03    -0.03   0.02  -0.01
     3   1    -0.01  -0.01  -0.01    -0.06   0.11  -0.09     0.02  -0.00   0.03
     4   1    -0.01  -0.01   0.01     0.22   0.04  -0.22    -0.10  -0.03   0.08
     5   6    -0.00   0.00   0.00     0.00  -0.10   0.15    -0.00   0.03  -0.01
     6   6    -0.00   0.00  -0.00     0.04   0.01  -0.01    -0.01   0.01  -0.07
     7   1    -0.00  -0.00   0.01    -0.02   0.19  -0.09     0.01  -0.06  -0.03
     8   1    -0.00  -0.00   0.01    -0.02   0.13  -0.19    -0.06  -0.04   0.11
     9   1     0.01   0.00  -0.01    -0.35   0.05   0.64     0.05  -0.03  -0.14
    10   6     0.00   0.01  -0.06    -0.01  -0.04   0.02    -0.00  -0.00   0.08
    11   6     0.01   0.02  -0.08    -0.02  -0.05  -0.01     0.01   0.01   0.03
    12   6    -0.00   0.00  -0.01     0.02   0.01  -0.04     0.00   0.02  -0.09
    13   6    -0.00  -0.02   0.07    -0.05   0.05  -0.00     0.01  -0.01  -0.03
    14   6    -0.00  -0.02   0.08    -0.01   0.01   0.04    -0.00  -0.03   0.11
    15   1    -0.02  -0.08   0.44    -0.01  -0.01  -0.18     0.03   0.10  -0.42
    16   1    -0.03  -0.11   0.51    -0.08  -0.03   0.00     0.04   0.05  -0.17
    17   1    -0.01  -0.01   0.05     0.00  -0.06   0.22    -0.04  -0.12   0.56
    18   1     0.04   0.10  -0.47    -0.10   0.01   0.02     0.01  -0.03   0.12
    19   1     0.03   0.11  -0.50     0.00   0.07  -0.20     0.04   0.12  -0.56
                     19                     20                     21
                      A                      A                      A
 Frequencies --    969.0848               983.7900              1009.1588
 Red. masses --      1.3337                 1.2602                 2.2581
 Frc consts  --      0.7379                 0.7186                 1.3549
 IR Inten    --      0.0091                 1.1016                43.2370
 RamAct Fr= 1--      0.0192                 0.0980                14.1360
  Dep-P Fr= 1--      0.4014                 0.6593                 0.2399
  Dep-U Fr= 1--      0.5729                 0.7946                 0.3870
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.1723
 Beta2  Fr= 1--      0.0018                 0.0130                 0.9118
 AlphaG Fr= 1--      0.0030                -0.0003                -0.0910
 Gamma2 Fr= 1--      0.1745                 0.0658                 1.9320
 Delta2 Fr= 1--     -0.0362                -0.0580                 1.3441
 Raman1 Fr= 1--       0.077                  0.392                 56.544
 ROA1   Fr= 1--      15.594                  4.460                228.486
 CID1   Fr= 1--     202.721                 11.381                  4.041
 Raman2 Fr= 1--       0.022                  0.156                 10.941
 ROA2   Fr= 1--       4.478                  2.043                 35.616
 CID2   Fr= 1--     203.203                 13.120                  3.255
 Raman3 Fr= 1--       0.044                  0.311                 21.882
 ROA3   Fr= 1--      15.594                  4.460                228.486
 CID3   Fr= 1--     353.853                 14.323                 10.442
 RC180  Fr= 1--       0.146                  0.589                 -0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.01   0.01     0.05  -0.10   0.04
     2   6     0.00   0.00  -0.00    -0.00   0.01  -0.01     0.06   0.11  -0.15
     3   1    -0.02   0.00  -0.01     0.00   0.02   0.01    -0.25   0.28  -0.05
     4   1     0.02   0.00  -0.01    -0.01  -0.00   0.00     0.33   0.11  -0.25
     5   6    -0.00  -0.00   0.00    -0.00   0.01   0.01    -0.15   0.01   0.08
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.06   0.03   0.00
     7   1    -0.01   0.01   0.02    -0.00  -0.01   0.00    -0.19  -0.05   0.63
     8   1     0.01   0.00  -0.01    -0.01  -0.01   0.03     0.15  -0.05   0.11
     9   1     0.00   0.01   0.01     0.00  -0.01  -0.02     0.20   0.06  -0.09
    10   6     0.01   0.01  -0.08    -0.00  -0.02   0.08     0.05  -0.08  -0.01
    11   6    -0.00  -0.01   0.04     0.01   0.02  -0.10    -0.03  -0.06  -0.01
    12   6    -0.00  -0.01   0.05    -0.00  -0.01   0.06    -0.06   0.01  -0.01
    13   6     0.01   0.03  -0.11     0.00   0.00  -0.03    -0.02   0.03   0.01
    14   6    -0.01  -0.02   0.08    -0.00   0.00   0.01     0.02   0.05   0.00
    15   1    -0.02  -0.08   0.40     0.02   0.10  -0.54     0.03  -0.10  -0.00
    16   1     0.01   0.04  -0.18    -0.04  -0.13   0.62    -0.09  -0.03  -0.05
    17   1     0.02   0.07  -0.33     0.03   0.08  -0.41    -0.07   0.05   0.04
    18   1    -0.04  -0.14   0.63    -0.02  -0.06   0.26    -0.02   0.04  -0.03
    19   1     0.03   0.10  -0.47     0.00   0.03  -0.11    -0.03   0.06   0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.1786              1053.5020              1070.5286
 Red. masses --      5.7173                 2.1794                 1.6888
 Frc consts  --      3.5472                 1.4252                 1.1403
 IR Inten    --      3.4614                 7.0778                17.2363
 RamAct Fr= 1--     40.3984                18.6489                 5.9519
  Dep-P Fr= 1--      0.0450                 0.0433                 0.0991
  Dep-U Fr= 1--      0.0861                 0.0830                 0.1803
 Alpha2 Fr= 1--      0.8075                 0.3743                 0.1044
 Beta2  Fr= 1--      0.5800                 0.2580                 0.1789
 AlphaG Fr= 1--      0.0504                 0.0221                 0.0074
 Gamma2 Fr= 1--     -0.8104                -0.3622                 0.3497
 Delta2 Fr= 1--     -0.3413                -0.1951                -0.6202
 Raman1 Fr= 1--     161.594                 74.596                 23.807
 ROA1   Fr= 1--     -88.723                -41.013                 13.721
 CID1   Fr= 1--      -0.549                 -0.550                  0.576
 Raman2 Fr= 1--       6.960                  3.096                  2.146
 ROA2   Fr= 1--     -16.720                 -7.132                 13.354
 CID2   Fr= 1--      -2.402                 -2.303                  6.222
 Raman3 Fr= 1--      13.920                  6.192                  4.293
 ROA3   Fr= 1--     -88.723                -41.013                 13.721
 CID3   Fr= 1--      -6.374                 -6.623                  3.196
 RC180  Fr= 1--      -0.828                 -0.834                 -0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.05   0.02     0.01  -0.01   0.00     0.02   0.01  -0.00
     2   6     0.05   0.05  -0.08     0.02   0.02  -0.02     0.03  -0.09  -0.14
     3   1    -0.13   0.14  -0.03    -0.04   0.05  -0.01    -0.28   0.35  -0.10
     4   1     0.10   0.06  -0.11     0.06   0.03  -0.04    -0.21  -0.19   0.11
     5   6    -0.06   0.01   0.05    -0.00  -0.01   0.02     0.02   0.08   0.09
     6   6     0.04   0.01   0.01    -0.02   0.00   0.00    -0.01  -0.06   0.04
     7   1    -0.07  -0.02   0.24    -0.00   0.02   0.00     0.09  -0.17  -0.25
     8   1     0.04  -0.03   0.08    -0.01   0.01   0.01    -0.32  -0.10   0.47
     9   1     0.07   0.02  -0.02    -0.03   0.00   0.05    -0.09  -0.13  -0.14
    10   6    -0.22   0.28   0.05    -0.03  -0.08  -0.02    -0.04   0.04  -0.01
    11   6    -0.03  -0.06  -0.02    -0.00   0.18   0.04     0.03   0.04   0.01
    12   6     0.36   0.05   0.03     0.13   0.02   0.01    -0.01  -0.05  -0.01
    13   6    -0.03   0.05   0.01     0.05  -0.18  -0.03    -0.03   0.02   0.00
    14   6    -0.14  -0.34  -0.09    -0.06   0.06   0.01     0.04   0.05  -0.00
    15   1    -0.20   0.30   0.06    -0.32  -0.30  -0.05    -0.13  -0.04   0.05
    16   1    -0.04  -0.04  -0.01    -0.36   0.34   0.03     0.15  -0.01   0.01
    17   1     0.37   0.06   0.04     0.15   0.02   0.02     0.02  -0.24  -0.07
    18   1    -0.02   0.05  -0.00    -0.24  -0.41  -0.11    -0.12  -0.04  -0.01
    19   1    -0.12  -0.36  -0.05    -0.39   0.19   0.03     0.17  -0.02   0.08
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1102.2961              1129.1320              1184.7885
 Red. masses --      1.7699                 1.9636                 1.1186
 Frc consts  --      1.2670                 1.4750                 0.9251
 IR Inten    --     31.8382                14.1938                 0.1026
 RamAct Fr= 1--      4.8245                 1.5221                 3.9791
  Dep-P Fr= 1--      0.1489                 0.7335                 0.7498
  Dep-U Fr= 1--      0.2592                 0.8463                 0.8570
 Alpha2 Fr= 1--      0.0748                 0.0004                 0.0000
 Beta2  Fr= 1--      0.2084                 0.2147                 0.5684
 AlphaG Fr= 1--      0.0530                -0.0082                 0.0000
 Gamma2 Fr= 1--      0.2790                -2.2337                -0.0260
 Delta2 Fr= 1--      0.1069                -0.6555                 0.0676
 Raman1 Fr= 1--      19.298                  6.088                 15.916
 ROA1   Fr= 1--      30.208               -235.409                 -0.334
 CID1   Fr= 1--       1.565                -38.665                 -0.021
 Raman2 Fr= 1--       2.501                  2.576                  6.820
 ROA2   Fr= 1--       5.841                -48.364                 -1.166
 CID2   Fr= 1--       2.336                -18.773                 -0.171
 Raman3 Fr= 1--       5.002                  5.153                 13.641
 ROA3   Fr= 1--      30.208               -235.409                 -0.334
 CID3   Fr= 1--       6.040                -45.688                 -0.024
 RC180  Fr= 1--      -0.482                  0.693                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.04   0.01     0.03  -0.09   0.03     0.00   0.00   0.00
     2   6    -0.04   0.04  -0.11    -0.07   0.19  -0.06    -0.00  -0.01  -0.00
     3   1    -0.07   0.06  -0.02     0.13  -0.19   0.07     0.00  -0.00  -0.00
     4   1    -0.12   0.03  -0.08    -0.07   0.30  -0.26    -0.00  -0.01   0.01
     5   6     0.06  -0.01   0.07     0.05  -0.07   0.04     0.00   0.00   0.00
     6   6    -0.08   0.02   0.04    -0.05  -0.02   0.01     0.00   0.00   0.00
     7   1     0.09   0.04  -0.32     0.04   0.19  -0.20     0.00  -0.01  -0.01
     8   1    -0.22   0.03   0.09    -0.08   0.11  -0.19    -0.01  -0.00   0.01
     9   1    -0.22  -0.06   0.20    -0.21   0.02   0.36    -0.00  -0.01  -0.01
    10   6     0.09  -0.01  -0.00    -0.07   0.01  -0.01    -0.00  -0.01  -0.00
    11   6    -0.02  -0.03  -0.01     0.04   0.04   0.01     0.04  -0.02  -0.00
    12   6    -0.03   0.06   0.01    -0.01  -0.04  -0.01    -0.01   0.07   0.01
    13   6     0.08  -0.05  -0.01    -0.01   0.02   0.00    -0.04  -0.03  -0.01
    14   6    -0.07  -0.04  -0.03     0.07   0.01   0.00     0.01  -0.01  -0.00
    15   1     0.43   0.24   0.11    -0.24  -0.11  -0.01    -0.14  -0.11  -0.03
    16   1    -0.13   0.01   0.00     0.24  -0.03   0.01     0.44  -0.19  -0.01
    17   1    -0.08   0.42   0.08     0.03  -0.30  -0.06    -0.09   0.67   0.13
    18   1     0.29   0.09   0.05    -0.08  -0.03  -0.01    -0.38  -0.28  -0.09
    19   1    -0.29   0.02   0.03     0.39  -0.12   0.02     0.14  -0.07  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1201.7799              1222.3006              1280.2328
 Red. masses --      1.1401                 2.3042                 1.2835
 Frc consts  --      0.9701                 2.0283                 1.2394
 IR Inten    --      0.3290                 1.9461                48.3717
 RamAct Fr= 1--      6.1552                23.0718                 2.4683
  Dep-P Fr= 1--      0.3192                 0.0718                 0.4582
  Dep-U Fr= 1--      0.4839                 0.1340                 0.6285
 Alpha2 Fr= 1--      0.0596                 0.4325                 0.0146
 Beta2  Fr= 1--      0.4964                 0.5154                 0.2585
 AlphaG Fr= 1--     -0.0015                -0.0304                -0.0227
 Gamma2 Fr= 1--      0.2054                 1.0143                -0.9802
 Delta2 Fr= 1--      0.1842                 0.6938                 0.1044
 Raman1 Fr= 1--      24.621                 92.287                  9.873
 ROA1   Fr= 1--      25.609                119.577                -90.761
 CID1   Fr= 1--       1.040                  1.296                 -9.193
 Raman2 Fr= 1--       5.957                  6.184                  3.102
 ROA2   Fr= 1--       3.456                 18.793                -24.361
 CID2   Fr= 1--       0.580                  3.039                 -7.852
 Raman3 Fr= 1--      11.913                 12.368                  6.205
 ROA3   Fr= 1--      25.609                119.577                -90.761
 CID3   Fr= 1--       2.150                  9.668                -14.627
 RC180  Fr= 1--      -0.032                 -0.732                  0.257
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.02  -0.01   0.02     0.04  -0.03  -0.02
     2   6     0.02   0.00   0.01    -0.11  -0.01  -0.06    -0.02   0.06   0.04
     3   1    -0.03   0.02  -0.01     0.27  -0.33   0.11    -0.38   0.49  -0.14
     4   1     0.06  -0.01   0.02    -0.47   0.13  -0.17    -0.41  -0.12   0.46
     5   6    -0.01  -0.00  -0.00     0.03   0.02   0.01    -0.00  -0.08  -0.03
     6   6    -0.04  -0.00  -0.01     0.27  -0.00   0.03     0.05  -0.05  -0.01
     7   1    -0.01  -0.00   0.02     0.04  -0.02  -0.08    -0.04   0.15   0.02
     8   1     0.03   0.00  -0.02    -0.15   0.00   0.09     0.10   0.07  -0.29
     9   1     0.02   0.01  -0.01    -0.10  -0.04   0.02     0.02   0.05   0.15
    10   6     0.03   0.03   0.01     0.06   0.03   0.01     0.02   0.02   0.01
    11   6    -0.04   0.03   0.00    -0.08  -0.06  -0.02    -0.03   0.00  -0.00
    12   6    -0.01  -0.00  -0.00     0.02  -0.00   0.00     0.00  -0.02  -0.00
    13   6    -0.03  -0.04  -0.01    -0.08   0.05   0.01     0.00   0.02   0.01
    14   6     0.05  -0.02  -0.00     0.04   0.01   0.00    -0.00   0.02   0.00
    15   1     0.41   0.31   0.08    -0.03  -0.04  -0.00     0.02   0.03   0.00
    16   1    -0.40   0.18   0.01    -0.37   0.05  -0.01     0.03  -0.02  -0.00
    17   1    -0.01  -0.00  -0.00     0.01   0.04   0.01    -0.00   0.02   0.00
    18   1    -0.36  -0.28  -0.09    -0.35  -0.14  -0.05    -0.10  -0.05  -0.02
    19   1     0.50  -0.21  -0.01    -0.25   0.14   0.02    -0.11   0.06   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1319.4599              1354.7340              1386.6678
 Red. masses --      2.3563                 2.0370                 1.2725
 Frc consts  --      2.4170                 2.2026                 1.4416
 IR Inten    --     20.2050                 2.7168                 0.2915
 RamAct Fr= 1--      1.4668                 0.9860                 2.6236
  Dep-P Fr= 1--      0.2202                 0.6092                 0.6823
  Dep-U Fr= 1--      0.3609                 0.7572                 0.8112
 Alpha2 Fr= 1--      0.0189                 0.0026                 0.0031
 Beta2  Fr= 1--      0.0882                 0.1244                 0.3547
 AlphaG Fr= 1--      0.0349                -0.0053                -0.0059
 Gamma2 Fr= 1--     -0.5335                 0.0690                 1.3936
 Delta2 Fr= 1--     -0.1939                -0.0072                 0.4716
 Raman1 Fr= 1--       5.867                  3.944                 10.494
 ROA1   Fr= 1--     -57.421                  6.397                148.881
 CID1   Fr= 1--      -9.787                  1.622                 14.187
 Raman2 Fr= 1--       1.059                  1.493                  4.256
 ROA2   Fr= 1--     -11.253                  1.715                 29.674
 CID2   Fr= 1--     -10.629                  1.148                  6.972
 Raman3 Fr= 1--       2.117                  2.986                  8.513
 ROA3   Fr= 1--     -57.421                  6.397                148.881
 CID3   Fr= 1--     -27.119                  2.142                 17.489
 RC180  Fr= 1--      -0.278                  0.514                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03   0.01   0.00    -0.01  -0.00  -0.00    -0.01   0.03   0.02
     2   6    -0.13  -0.01  -0.02     0.05   0.01   0.00    -0.05   0.05  -0.07
     3   1    -0.14   0.19  -0.05     0.01  -0.03   0.00     0.15  -0.18   0.06
     4   1     0.34  -0.36   0.38    -0.24   0.09  -0.04     0.53  -0.39   0.42
     5   6     0.04  -0.02   0.00    -0.02   0.00   0.00     0.03  -0.01  -0.03
     6   6     0.04   0.22   0.05    -0.02   0.01   0.00     0.02  -0.06  -0.01
     7   1     0.04   0.05  -0.08    -0.01  -0.03  -0.00    -0.01   0.04   0.19
     8   1    -0.09   0.05  -0.08     0.07  -0.01  -0.01    -0.15  -0.03   0.07
     9   1    -0.11  -0.06   0.04     0.04   0.02  -0.01    -0.15   0.01   0.14
    10   6    -0.03  -0.06  -0.01    -0.15  -0.08  -0.02     0.00  -0.00  -0.00
    11   6     0.08  -0.07  -0.01     0.09  -0.02   0.00    -0.05   0.02   0.00
    12   6    -0.01   0.08   0.02    -0.02   0.15   0.03     0.00  -0.00  -0.00
    13   6    -0.09  -0.07  -0.02    -0.07  -0.04  -0.01     0.04   0.04   0.01
    14   6     0.08  -0.07  -0.01     0.15  -0.04   0.00     0.00  -0.01  -0.00
    15   1    -0.27  -0.23  -0.07     0.43   0.36   0.10     0.14   0.10   0.02
    16   1    -0.37   0.10  -0.01     0.20  -0.06   0.00     0.22  -0.09  -0.00
    17   1     0.01  -0.06  -0.01     0.05  -0.34  -0.07     0.02  -0.14  -0.03
    18   1     0.19   0.14   0.05    -0.13  -0.09  -0.03    -0.19  -0.13  -0.04
    19   1     0.20  -0.12  -0.01    -0.50   0.24   0.02    -0.18   0.07   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1394.0529              1413.0389              1484.9550
 Red. masses --      1.4144                 1.3613                 1.0791
 Frc consts  --      1.6195                 1.6015                 1.4020
 IR Inten    --     28.4614                13.8879                 1.6931
 RamAct Fr= 1--      4.4749                 5.2663                 5.3854
  Dep-P Fr= 1--      0.3417                 0.5002                 0.6543
  Dep-U Fr= 1--      0.5094                 0.6669                 0.7911
 Alpha2 Fr= 1--      0.0403                 0.0260                 0.0092
 Beta2  Fr= 1--      0.3799                 0.5853                 0.7100
 AlphaG Fr= 1--      0.0145                -0.0027                 0.0158
 Gamma2 Fr= 1--     -0.1875                -0.2691                 1.9243
 Delta2 Fr= 1--     -0.7380                 0.1202                 0.0195
 Raman1 Fr= 1--      17.900                 21.065                 21.541
 ROA1   Fr= 1--     -41.612                -21.992                185.359
 CID1   Fr= 1--      -2.325                 -1.044                  8.605
 Raman2 Fr= 1--       4.559                  7.024                  8.520
 ROA2   Fr= 1--       1.405                 -7.421                 46.028
 CID2   Fr= 1--       0.308                 -1.056                  5.402
 Raman3 Fr= 1--       9.117                 14.048                 17.041
 ROA3   Fr= 1--     -41.612                -21.992                185.359
 CID3   Fr= 1--      -4.564                 -1.566                 10.877
 RC180  Fr= 1--       0.019                  0.334                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.01  -0.02     0.02  -0.02  -0.02     0.00   0.00  -0.00
     2   6    -0.12  -0.03   0.09    -0.04  -0.03   0.08    -0.03  -0.02  -0.00
     3   1    -0.23   0.29  -0.10    -0.19   0.24  -0.07    -0.01   0.03  -0.00
     4   1     0.51   0.13  -0.38     0.04   0.19  -0.28     0.06  -0.01  -0.05
     5   6     0.02   0.02   0.06     0.07   0.03  -0.12    -0.03  -0.03  -0.02
     6   6     0.04  -0.03  -0.02     0.00   0.01  -0.01    -0.00   0.02   0.00
     7   1     0.06  -0.00  -0.33     0.02  -0.07   0.45    -0.03   0.32  -0.35
     8   1    -0.00   0.17  -0.18    -0.26  -0.22   0.38     0.13  -0.30   0.38
     9   1     0.08  -0.16  -0.28    -0.37   0.11   0.36     0.48   0.42   0.29
    10   6     0.01  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.00   0.00
    11   6    -0.04   0.01  -0.00     0.00  -0.00   0.00    -0.02  -0.01  -0.00
    12   6     0.00   0.00   0.00    -0.00   0.01   0.00    -0.01   0.02   0.00
    13   6     0.02   0.03   0.01    -0.00  -0.00   0.00     0.02   0.01   0.00
    14   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.02  -0.00
    15   1     0.08   0.05   0.01     0.02   0.02  -0.01    -0.03  -0.04  -0.01
    16   1     0.13  -0.06  -0.01     0.00  -0.00   0.00     0.02  -0.03  -0.00
    17   1     0.02  -0.12  -0.02     0.00  -0.01  -0.00     0.01  -0.10  -0.02
    18   1    -0.16  -0.11  -0.04    -0.01  -0.01  -0.00    -0.07  -0.07  -0.02
    19   1    -0.15   0.05  -0.01    -0.00   0.00  -0.02    -0.02  -0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.6808              1496.5617              1532.7118
 Red. masses --      1.6531                 1.1974                 2.2114
 Frc consts  --      2.1643                 1.5801                 3.0608
 IR Inten    --     16.0986                 0.4174                 7.2085
 RamAct Fr= 1--      0.7718                 4.0366                 0.1939
  Dep-P Fr= 1--      0.7317                 0.7309                 0.4089
  Dep-U Fr= 1--      0.8450                 0.8445                 0.5804
 Alpha2 Fr= 1--      0.0002                 0.0013                 0.0014
 Beta2  Fr= 1--      0.1087                 0.5682                 0.0188
 AlphaG Fr= 1--      0.0019                -0.0154                 0.0023
 Gamma2 Fr= 1--     -0.9471                -0.9489                 0.0602
 Delta2 Fr= 1--      0.3807                -1.1155                -0.0675
 Raman1 Fr= 1--       3.087                 16.146                  0.776
 ROA1   Fr= 1--     -78.736               -126.795                  3.620
 CID1   Fr= 1--     -25.503                 -7.853                  4.668
 Raman2 Fr= 1--       1.304                  6.818                  0.225
 ROA2   Fr= 1--     -25.775                -13.851                  1.985
 CID2   Fr= 1--     -19.759                 -2.032                  8.818
 Raman3 Fr= 1--       2.609                 13.636                  0.450
 ROA3   Fr= 1--     -78.736               -126.795                  3.620
 CID3   Fr= 1--     -30.179                 -9.299                  8.042
 RC180  Fr= 1--       0.690                  0.689                  0.161
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.02   0.01   0.01    -0.04   0.03  -0.00    -0.03  -0.01  -0.00
     3   1     0.00  -0.01   0.00    -0.02   0.02  -0.01    -0.01   0.01  -0.00
     4   1     0.23  -0.03  -0.03     0.16  -0.04   0.05    -0.04  -0.01   0.01
     5   6     0.01  -0.03  -0.00    -0.03   0.04  -0.01    -0.01  -0.00   0.00
     6   6     0.02  -0.11  -0.03     0.01  -0.06  -0.01     0.14   0.02   0.01
     7   1    -0.06   0.46   0.04     0.08  -0.54  -0.25     0.01  -0.02  -0.08
     8   1    -0.36   0.01   0.06     0.59  -0.14   0.07     0.07  -0.04   0.03
     9   1     0.26   0.05  -0.09    -0.20   0.11   0.27     0.03   0.05   0.05
    10   6    -0.07   0.03   0.00    -0.03   0.02   0.00    -0.05  -0.11  -0.02
    11   6     0.10   0.02   0.01     0.04   0.01   0.00    -0.13   0.09   0.01
    12   6     0.02  -0.09  -0.02     0.00  -0.05  -0.01     0.11   0.01   0.01
    13   6    -0.11  -0.01  -0.01    -0.04   0.01  -0.00    -0.09  -0.11  -0.03
    14   6     0.06   0.05   0.01     0.03   0.02   0.01    -0.08   0.08   0.01
    15   1     0.09   0.16   0.03     0.01   0.05   0.02     0.38   0.20   0.06
    16   1    -0.22   0.17   0.02    -0.12   0.08   0.01     0.47  -0.15   0.00
    17   1    -0.06   0.46   0.09    -0.03   0.21   0.04     0.13   0.01   0.01
    18   1     0.20   0.23   0.06     0.06   0.09   0.02     0.40   0.24   0.08
    19   1    -0.10   0.12   0.02    -0.08   0.07   0.01     0.43  -0.11   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1630.1248              1649.1533              2979.9925
 Red. masses --      5.5115                 5.5518                 1.0837
 Frc consts  --      8.6291                 8.8963                 5.6699
 IR Inten    --      0.3969                 2.0979                42.1206
 RamAct Fr= 1--      7.7007                37.9719                89.1154
  Dep-P Fr= 1--      0.7490                 0.6071                 0.2090
  Dep-U Fr= 1--      0.8565                 0.7555                 0.3458
 Alpha2 Fr= 1--      0.0001                 0.1000                 1.1815
 Beta2  Fr= 1--      1.0993                 4.7815                 5.1353
 AlphaG Fr= 1--      0.0023                 0.0275                 1.0011
 Gamma2 Fr= 1--     -0.4347                 0.3440                 5.4814
 Delta2 Fr= 1--      0.0143                -0.1676                 0.1981
 Raman1 Fr= 1--      30.803                151.888                356.462
 ROA1   Fr= 1--     -41.272                 27.663                532.551
 CID1   Fr= 1--      -1.340                  0.182                  1.494
 Raman2 Fr= 1--      13.191                 57.378                 61.624
 ROA2   Fr= 1--     -10.547                  9.598                129.969
 CID2   Fr= 1--      -0.800                  0.167                  2.109
 Raman3 Fr= 1--      26.383                114.757                123.248
 ROA3   Fr= 1--     -41.272                 27.663                532.551
 CID3   Fr= 1--      -1.564                  0.241                  4.321
 RC180  Fr= 1--       0.713                  0.511                 -0.308
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.02   0.04   0.01     0.03   0.00   0.00    -0.02  -0.07  -0.04
     3   1     0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   1     0.24  -0.02   0.00     0.01   0.02  -0.02     0.18   0.83   0.52
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     6   6     0.04  -0.30  -0.06    -0.22  -0.01  -0.01     0.00  -0.00  -0.00
     7   1     0.00  -0.01  -0.01    -0.00   0.01   0.04    -0.04  -0.00  -0.01
     8   1     0.01   0.01  -0.01    -0.03   0.00   0.00    -0.01  -0.06  -0.03
     9   1    -0.01  -0.00   0.01    -0.01  -0.01  -0.01     0.02  -0.02   0.01
    10   6     0.08   0.20   0.05     0.28   0.11   0.04     0.00   0.00  -0.00
    11   6     0.08  -0.19  -0.03    -0.28   0.04  -0.01     0.00  -0.00  -0.00
    12   6    -0.04   0.35   0.07     0.14   0.01   0.01     0.00   0.00   0.00
    13   6    -0.05  -0.21  -0.05    -0.25  -0.09  -0.04    -0.00   0.00   0.00
    14   6    -0.12   0.17   0.03     0.31  -0.06   0.01     0.00   0.00   0.00
    15   1    -0.29  -0.07  -0.03    -0.26  -0.30  -0.07    -0.00   0.00   0.00
    16   1    -0.22  -0.08  -0.03     0.28  -0.20  -0.02     0.00   0.00   0.00
    17   1     0.08  -0.47  -0.09     0.15   0.03   0.02    -0.00   0.00  -0.00
    18   1     0.26  -0.00   0.02     0.20   0.25   0.07    -0.00   0.00  -0.00
    19   1     0.30   0.01   0.02    -0.35   0.22   0.03    -0.01  -0.02  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3041.5876              3111.8572              3115.3334
 Red. masses --      1.0337                 1.1030                 1.1023
 Frc consts  --      5.6345                 6.2928                 6.3032
 IR Inten    --     16.5469                25.2980                20.0056
 RamAct Fr= 1--    184.3294                77.7375                63.0186
  Dep-P Fr= 1--      0.0274                 0.5780                 0.7090
  Dep-U Fr= 1--      0.0533                 0.7326                 0.8297
 Alpha2 Fr= 1--      3.8417                 0.2511                 0.0448
 Beta2  Fr= 1--      1.6361                 9.4911                 8.7146
 AlphaG Fr= 1--     -0.0173                -0.0614                 0.0379
 Gamma2 Fr= 1--      0.7908                -3.2747                 1.5350
 Delta2 Fr= 1--     -0.1234                -6.2869                 6.2293
 Raman1 Fr= 1--     737.318                310.950                252.074
 ROA1   Fr= 1--      71.964               -515.553                346.695
 CID1   Fr= 1--       0.098                 -1.658                  1.375
 Raman2 Fr= 1--      19.633                113.893                104.575
 ROA2   Fr= 1--      19.966                -28.298                -12.995
 CID2   Fr= 1--       1.017                 -0.248                 -0.124
 Raman3 Fr= 1--      39.267                227.786                209.150
 ROA3   Fr= 1--      71.964               -515.553                346.695
 CID3   Fr= 1--       1.833                 -2.263                  1.658
 RC180  Fr= 1--      -0.893                  0.465                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
     3   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   1    -0.00  -0.00  -0.00     0.01   0.07   0.04     0.00   0.02   0.02
     5   6    -0.02   0.00   0.04    -0.06  -0.07  -0.03     0.06  -0.07   0.03
     6   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   1     0.58   0.08   0.07     0.64   0.07   0.07    -0.47  -0.08  -0.05
     8   1    -0.11  -0.50  -0.31     0.11   0.62   0.39     0.06   0.22   0.15
     9   1    -0.21   0.42  -0.26    -0.06   0.09  -0.07    -0.31   0.65  -0.41
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3157.9221              3168.8522              3178.6958
 Red. masses --      1.0868                 1.0862                 1.0902
 Frc consts  --      6.3858                 6.4265                 6.4900
 IR Inten    --      7.6796                 0.1090                14.5037
 RamAct Fr= 1--     47.8086                85.9423                94.0501
  Dep-P Fr= 1--      0.4537                 0.6394                 0.6525
  Dep-U Fr= 1--      0.6242                 0.7801                 0.7897
 Alpha2 Fr= 1--      0.2887                 0.1717                 0.1645
 Beta2  Fr= 1--      4.9738                11.1735                12.3782
 AlphaG Fr= 1--     -0.0746                -0.0425                -0.0138
 Gamma2 Fr= 1--     -0.3429                 1.0698                -1.0633
 Delta2 Fr= 1--      0.2410                 0.3093                -0.4051
 Raman1 Fr= 1--     191.234                343.769                376.200
 ROA1   Fr= 1--     -25.208                112.603               -115.040
 CID1   Fr= 1--      -0.132                  0.328                 -0.306
 Raman2 Fr= 1--      59.686                134.082                148.538
 ROA2   Fr= 1--     -10.159                 23.202                -22.279
 CID2   Fr= 1--      -0.170                  0.173                 -0.150
 Raman3 Fr= 1--     119.372                268.164                297.077
 ROA3   Fr= 1--     -25.208                112.603               -115.040
 CID3   Fr= 1--      -0.211                  0.420                 -0.387
 RC180  Fr= 1--       0.248                  0.560                  0.579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   1     0.01   0.02   0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   1     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.00   0.00   0.00    -0.02   0.02   0.00    -0.02   0.03   0.00
    11   6    -0.00  -0.01  -0.00    -0.02  -0.05  -0.01    -0.01  -0.03  -0.01
    12   6     0.01   0.00   0.00     0.04   0.01   0.00    -0.04  -0.00  -0.00
    13   6    -0.02   0.03   0.00    -0.01   0.01   0.00     0.03  -0.04  -0.01
    14   6    -0.03  -0.07  -0.02     0.01   0.02   0.01    -0.01  -0.02  -0.01
    15   1     0.03  -0.04  -0.01     0.20  -0.25  -0.04     0.25  -0.32  -0.05
    16   1     0.04   0.11   0.03     0.26   0.62   0.15     0.16   0.39   0.09
    17   1    -0.17  -0.02  -0.02    -0.53  -0.07  -0.05     0.41   0.05   0.04
    18   1     0.24  -0.32  -0.05     0.12  -0.15  -0.02    -0.38   0.49   0.08
    19   1     0.33   0.80   0.20    -0.11  -0.27  -0.07     0.11   0.26   0.06
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3188.2761              3195.5658              3792.7286
 Red. masses --      1.0927                 1.0973                 1.0661
 Frc consts  --      6.5445                 6.6017                 9.0355
 IR Inten    --     18.2977                12.4077                20.4374
 RamAct Fr= 1--     19.5399               309.5353                77.0745
  Dep-P Fr= 1--      0.5368                 0.0893                 0.1706
  Dep-U Fr= 1--      0.6986                 0.1639                 0.2914
 Alpha2 Fr= 1--      0.0803                 5.5633                 1.1304
 Beta2  Fr= 1--      2.2752                 8.4550                 3.7437
 AlphaG Fr= 1--     -0.0530                 0.0295                -1.0554
 Gamma2 Fr= 1--     -0.1524                -0.1945                -6.3276
 Delta2 Fr= 1--     -1.5407                 0.4557                -0.9993
 Raman1 Fr= 1--      78.160               1238.141                308.298
 ROA1   Fr= 1--     -63.933                 -4.092               -639.428
 CID1   Fr= 1--      -0.818                 -0.003                 -2.074
 Raman2 Fr= 1--      27.302                101.460                 44.925
 ROA2   Fr= 1--       8.667                 -8.314               -143.868
 CID2   Fr= 1--       0.317                 -0.082                 -3.202
 Raman3 Fr= 1--      54.604                202.920                 89.849
 ROA3   Fr= 1--     -63.933                 -4.092               -639.428
 CID3   Fr= 1--      -1.171                 -0.020                 -7.117
 RC180  Fr= 1--       0.397                 -0.672                 -0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.03   0.01  -0.05
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.45  -0.16   0.88
     4   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.04  -0.05  -0.01     0.03  -0.03  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.02  -0.00    -0.02  -0.04  -0.01    -0.00  -0.00  -0.00
    12   6     0.03   0.01   0.00    -0.05  -0.01  -0.00     0.00  -0.00   0.00
    13   6     0.03  -0.03  -0.01    -0.02   0.03   0.01     0.00   0.00  -0.00
    14   6    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    15   1    -0.44   0.56   0.09    -0.28   0.35   0.05    -0.00  -0.00  -0.00
    16   1     0.09   0.21   0.05     0.19   0.46   0.11     0.00   0.00   0.00
    17   1    -0.39  -0.05  -0.04     0.59   0.07   0.05     0.00  -0.00   0.00
    18   1    -0.30   0.38   0.06     0.24  -0.31  -0.05     0.00  -0.00  -0.00
    19   1     0.06   0.14   0.03    -0.04  -0.10  -0.02    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   517.510441627.663341835.40748
           X            0.99984   0.01236  -0.01287
           Y           -0.01215   0.99980   0.01611
           Z            0.01306  -0.01595   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16737     0.05321     0.04719
 Rotational constants (GHZ):           3.48735     1.10879     0.98329
 Zero-point vibrational energy     422585.9 (Joules/Mol)
                                  101.00045 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     61.88   184.99   299.70   363.95   441.33
          (Kelvin)            475.88   526.53   597.19   699.33   793.80
                              892.49   917.68  1029.55  1119.61  1124.66
                             1241.26  1320.38  1340.93  1394.30  1415.45
                             1451.95  1476.44  1515.75  1540.25  1585.96
                             1624.57  1704.65  1729.09  1758.62  1841.97
                             1898.41  1949.16  1995.11  2005.73  2033.05
                             2136.52  2144.76  2153.22  2205.23  2345.39
                             2372.76  4287.54  4376.17  4477.27  4482.27
                             4543.55  4559.27  4573.43  4587.22  4597.71
                             5456.89
 
 Zero-point correction=                           0.160954 (Hartree/Particle)
 Thermal correction to Energy=                    0.169314
 Thermal correction to Enthalpy=                  0.170258
 Thermal correction to Gibbs Free Energy=         0.127601
 Sum of electronic and zero-point Energies=           -386.117534
 Sum of electronic and thermal Energies=              -386.109175
 Sum of electronic and thermal Enthalpies=            -386.108231
 Sum of electronic and thermal Free Energies=         -386.150888
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.246             32.149             89.780
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.826
 Vibrational            104.468             26.187             20.641
 Vibration     1          0.595              1.980              5.116
 Vibration     2          0.611              1.925              2.967
 Vibration     3          0.642              1.828              2.059
 Vibration     4          0.664              1.758              1.710
 Vibration     5          0.697              1.661              1.380
 Vibration     6          0.713              1.614              1.256
 Vibration     7          0.739              1.542              1.097
 Vibration     8          0.778              1.438              0.909
 Vibration     9          0.842              1.281              0.694
 Vibration    10          0.907              1.136              0.541
 Vibration    11          0.980              0.989              0.416
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.203176D-58        -58.692129       -135.143620
 Total V=0       0.219643D+16         15.341717         35.325609
 Vib (Bot)       0.861060D-72        -72.064966       -165.935718
 Vib (Bot)    1  0.480987D+01          0.682133          1.570670
 Vib (Bot)    2  0.158612D+01          0.200336          0.461290
 Vib (Bot)    3  0.954148D+00         -0.020384         -0.046936
 Vib (Bot)    4  0.770463D+00         -0.113248         -0.260763
 Vib (Bot)    5  0.617618D+00         -0.209280         -0.481886
 Vib (Bot)    6  0.564650D+00         -0.248221         -0.571550
 Vib (Bot)    7  0.498856D+00         -0.302025         -0.695439
 Vib (Bot)    8  0.424629D+00         -0.371990         -0.856539
 Vib (Bot)    9  0.342292D+00         -0.465603         -1.072090
 Vib (Bot)   10  0.283972D+00         -0.546724         -1.258880
 Vib (Bot)   11  0.235674D+00         -0.627689         -1.445307
 Vib (V=0)       0.930849D+02          1.968879          4.533512
 Vib (V=0)    1  0.533579D+01          0.727198          1.674436
 Vib (V=0)    2  0.216306D+01          0.335069          0.771524
 Vib (V=0)    3  0.157722D+01          0.197892          0.455663
 Vib (V=0)    4  0.141848D+01          0.151825          0.349589
 Vib (V=0)    5  0.129464D+01          0.112149          0.258232
 Vib (V=0)    6  0.125421D+01          0.098369          0.226504
 Vib (V=0)    7  0.120630D+01          0.081455          0.187556
 Vib (V=0)    8  0.115598D+01          0.062950          0.144948
 Vib (V=0)    9  0.110594D+01          0.043732          0.100696
 Vib (V=0)   10  0.107501D+01          0.031414          0.072333
 Vib (V=0)   11  0.105276D+01          0.022329          0.051414
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.445096D+06          5.648454         13.006045
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                3333333  3 2                                           11 1111111111111111111                                  
     7                1111111  0 9                                           66 54444333322211100009999 877  7 66 5 4  4333 2 2 1    
     9                9876511  4 8                                           43 39981985182082075208631 687  1 32 5 8  1630 5 0 2  4 
     3                6899852  2 0                                           90 37153475902259214694928 328  6 80 2 6  5617 3 8 9  3 
 
     X                XXXXXXX  X X                                           XX XXXXXXXXXXXXXXXXXXXX XX XXX  X XX X X  XXXX X X X  X 
     X                XXX XXX  X X                                              X X XX  XX   XXX  X   X   X  X  X X     XX           
     X                XXX  XX  X X                                                X XX  XX   XXX  X       X  X    X     XX           
     X                 X   XX    X                                                   X  XX    XX  X       X  X    X     XX           
                            X    X                                                   X   X    X   X       X  X          XX           
                                 X                                                   X   X    X   X          X          XX           
                                 X                                                       X    X   X          X          XX           
                                 X                                                       X        X          X          XX           
                                 X                                                       X        X          X           X           
                                                                                         X                               X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000008896    0.000001307   -0.000000556
      2        6           0.000011671   -0.000009850    0.000001709
      3        1           0.000002840   -0.000003502    0.000002386
      4        1          -0.000005052    0.000001867   -0.000001673
      5        6          -0.000001543    0.000001372   -0.000005005
      6        6          -0.000004773    0.000028650    0.000007567
      7        1          -0.000000092    0.000001046    0.000001724
      8        1          -0.000000484    0.000002188   -0.000002097
      9        1          -0.000000036    0.000002000   -0.000001939
     10        6          -0.000017629   -0.000018327   -0.000005287
     11        6           0.000023488   -0.000010615   -0.000000843
     12        6          -0.000004549    0.000025099    0.000005038
     13        6          -0.000022285   -0.000014946   -0.000004968
     14        6           0.000028933   -0.000010463    0.000001388
     15        1           0.000002584    0.000001650   -0.000000070
     16        1          -0.000002717    0.000000792   -0.000001915
     17        1          -0.000000444   -0.000002946    0.000000929
     18        1           0.000001874    0.000002784    0.000001341
     19        1          -0.000002889    0.000001894    0.000002274
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028933 RMS     0.000009456
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125985D+03  0.729147D+00  0.659129D+00
      2   0.729147D+00  0.102449D+03  0.510219D+01
      3   0.659129D+00  0.510219D+01  0.725067D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.115099D+01  0.595818D+01  0.450324D+01
      2   0.193323D+01  0.127510D+02 -0.606868D+01
      3  -0.808684D+01 -0.411604D+02 -0.126216D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.954493D+02  0.408914D+01  0.553619D+01
      2  -0.328281D+02 -0.114974D+02 -0.150013D+02
      3  -0.626212D+02  0.740822D+01  0.946507D+01
      4  -0.132090D+02  0.816130D+02  0.292502D+02
      5   0.313569D+02  0.304138D+02 -0.191696D+02
      6   0.118394D+02  0.971673D+01 -0.639087D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.624108D+01  0.207579D+01 -0.123993D+01  0.384993D+01 -0.231123D+01
      2   0.207579D+01 -0.124118D+01  0.179143D+01 -0.231123D+01  0.145620D+01
      3  -0.123993D+01  0.179143D+01 -0.352536D+01  0.145465D+01 -0.139115D+01
                 6             7             8             9            10 
      1   0.145465D+01  0.485517D+00  0.916849D+00 -0.265474D+01  0.549652D+01
      2  -0.139115D+01  0.916849D+00  0.988785D+00 -0.551655D+00  0.180232D+00
      3   0.363967D-01 -0.265474D+01 -0.551655D+00  0.348229D+01 -0.102106D+01
                11            12            13            14            15 
      1   0.180232D+00 -0.102106D+01 -0.285639D+00  0.281660D+01 -0.165415D+01
      2   0.728326D+00 -0.123352D+01  0.281660D+01  0.378871D+01  0.377768D+01
      3  -0.123352D+01  0.222421D+01 -0.165415D+01  0.377768D+01  0.856412D+00
                16            17            18            19            20 
      1  -0.401078D+01 -0.140453D+01  0.479982D+01  0.109601D+01  0.802792D-01
      2  -0.140453D+01  0.250272D+01  0.166012D+01  0.802792D-01  0.521606D+00
      3   0.479982D+01  0.166012D+01 -0.127663D+01 -0.525263D+00 -0.954425D+00
                21            22            23            24            25 
      1  -0.525263D+00  0.187974D+00 -0.223011D+00 -0.112598D+00 -0.165643D+01
      2  -0.954425D+00 -0.223011D+00  0.124894D+01 -0.114502D+01  0.536829D-01
      3   0.241061D+01 -0.112598D+00 -0.114502D+01  0.140896D+01  0.130730D+00
                26            27            28            29            30 
      1   0.536829D-01  0.130730D+00 -0.626354D+00 -0.139221D+01 -0.559562D+00
      2  -0.169895D+01  0.205279D+01 -0.139221D+01 -0.965009D+00 -0.335583D+00
      3   0.205279D+01 -0.695453D+01 -0.559562D+00 -0.335583D+00 -0.902556D+00
                31            32            33            34            35 
      1  -0.292785D+01 -0.199337D+01 -0.542345D+00 -0.700983D+00 -0.624509D+00
      2  -0.199337D+01 -0.580558D+01 -0.220222D+01 -0.624509D+00 -0.233916D+01
      3  -0.542345D+00 -0.220222D+01 -0.223705D+01 -0.130180D+01 -0.193290D+01
                36            37            38            39            40 
      1  -0.130180D+01  0.843952D+01  0.154571D+01  0.305849D+00  0.142291D+01
      2  -0.193290D+01  0.154571D+01 -0.173952D+01  0.914840D+00 -0.153454D+01
      3  -0.217881D+01  0.305849D+00  0.914840D+00 -0.271254D+01  0.114141D+01
                41            42            43            44            45 
      1  -0.153454D+01  0.114141D+01  0.557095D+01  0.145872D+01 -0.400383D+01
      2  -0.299671D+00 -0.422791D+01  0.145872D+01 -0.322222D+01 -0.107644D+01
      3  -0.422791D+01 -0.618514D+00 -0.400383D+01 -0.107644D+01  0.106571D+01
                46            47            48            49            50 
      1  -0.179613D+02 -0.185255D+01  0.213648D-01 -0.337255D+01  0.149165D+01
      2  -0.185255D+01 -0.267596D+01  0.187298D+00  0.149165D+01 -0.367960D+00
      3   0.213648D-01  0.187298D+00 -0.208706D+01  0.120267D+01 -0.242702D+00
                51            52            53            54            55 
      1   0.120267D+01 -0.105246D+01  0.117310D+01 -0.420117D+01 -0.137016D+02
      2  -0.242702D+00  0.117310D+01 -0.534245D+00 -0.502413D+00 -0.167292D+01
      3  -0.748812D-01 -0.420117D+01 -0.502413D+00 -0.609291D+00  0.152866D+01
                56            57            58            59            60 
      1  -0.167292D+01  0.152866D+01 -0.164088D+01 -0.144423D+01  0.179546D+00
      2  -0.120409D+01  0.203801D+00 -0.144423D+01 -0.568538D+00  0.549110D+00
      3   0.203801D+00 -0.154154D+01  0.179546D+00  0.549110D+00 -0.240133D+00
                61            62            63            64            65 
      1  -0.137150D+01 -0.245222D+00 -0.661862D+00 -0.251180D+00  0.610221D+00
      2  -0.245222D+00  0.743732D-01 -0.646441D-01  0.610221D+00  0.400055D+00
      3  -0.661862D+00 -0.646441D-01 -0.229565D+00  0.208222D+00  0.526737D-01
                66            67            68            69            70 
      1   0.208222D+00  0.188958D+01 -0.145809D+00 -0.815232D+00  0.625514D+00
      2   0.526737D-01 -0.145809D+00  0.361544D+01  0.238249D+01 -0.300688D+00
      3   0.894995D+00 -0.815232D+00  0.238249D+01  0.314279D+01 -0.102237D+00
                71            72            73            74            75 
      1  -0.300688D+00 -0.102237D+00  0.636460D-01 -0.904017D+00  0.496618D+00
      2   0.199438D+01  0.162613D+01 -0.904017D+00  0.120778D+01 -0.795621D+00
      3   0.162613D+01  0.319149D+01  0.496618D+00 -0.795621D+00  0.149647D+01
                76            77            78            79            80 
      1  -0.153597D+01  0.243750D+00 -0.190498D-02  0.422194D+00 -0.205228D+00
      2   0.243750D+00 -0.403531D+01  0.262727D+01 -0.205228D+00  0.212817D+01
      3  -0.190498D-02  0.262727D+01 -0.256302D+01  0.325644D+00 -0.177866D+01
                81            82            83            84            85 
      1   0.325644D+00  0.394322D+01 -0.717857D+00  0.237494D+00  0.821290D+01
      2  -0.177866D+01 -0.717857D+00 -0.327566D+01 -0.627206D+00 -0.149119D+00
      3   0.290049D+01  0.237494D+00 -0.627206D+00 -0.146357D+01  0.435657D+00
                86            87            88            89            90 
      1  -0.149119D+00  0.435657D+00  0.277033D+01 -0.145839D+00 -0.181805D+01
      2   0.145356D+01 -0.852589D+00 -0.145839D+00 -0.146324D+01  0.318986D+01
      3  -0.852589D+00  0.158121D+01 -0.181805D+01  0.318986D+01  0.116798D+01
                91            92            93            94            95 
      1  -0.413147D+01 -0.401267D+00 -0.196838D+00  0.505490D+01  0.235529D+00
      2  -0.401267D+00  0.237229D+01 -0.264642D+00  0.235529D+00  0.144268D+01
      3  -0.196838D+00 -0.264642D+00  0.823394D+00 -0.271349D+00 -0.867432D+00
                96            97            98            99           100 
      1  -0.271349D+00  0.532659D+00 -0.698309D+00  0.188194D+01  0.595108D+01
      2  -0.867432D+00 -0.698309D+00 -0.116781D+01  0.363465D+01  0.356416D+00
      3   0.146685D+01  0.188194D+01  0.363465D+01  0.237146D+01 -0.377581D+00
               101           102           103           104           105 
      1   0.356416D+00 -0.377581D+00  0.804711D+00 -0.262691D+00 -0.110260D+01
      2   0.321634D+01  0.204549D+00 -0.262691D+00  0.212294D+00 -0.498882D+00
      3   0.204549D+00  0.220558D+01 -0.110260D+01 -0.498882D+00  0.107958D+00
               106           107           108           109           110 
      1  -0.826458D-01 -0.117307D+01  0.528109D+01 -0.253589D+01 -0.881409D+00
      2  -0.117307D+01  0.474862D-01  0.471707D+00 -0.881409D+00  0.272761D+01
      3   0.528109D+01  0.471707D+00  0.847711D+00 -0.458470D+00  0.784818D+00
               111           112           113           114           115 
      1  -0.458470D+00 -0.553467D+01 -0.817517D+00 -0.998910D+00 -0.176539D+01
      2   0.784818D+00 -0.817517D+00 -0.105138D+01  0.106205D+01 -0.607785D+00
      3   0.145922D+01 -0.998910D+00  0.106205D+01 -0.140837D+01  0.277110D+01
               116           117           118           119           120 
      1  -0.607785D+00  0.277110D+01  0.560809D+01  0.240956D+01  0.810001D+00
      2   0.157537D+01 -0.310107D+01  0.240956D+01 -0.230413D+01 -0.183894D+00
      3  -0.310107D+01 -0.124156D+01  0.810001D+00 -0.183894D+00 -0.607160D+00
               121           122           123           124           125 
      1  -0.672621D+01 -0.641116D+00  0.103126D+00 -0.615765D+00  0.916623D+00
      2  -0.641116D+00 -0.188239D+01  0.105185D+01  0.916623D+00  0.114947D+01
      3   0.103126D+00  0.105185D+01 -0.156063D+01 -0.897943D+00 -0.357501D+01
               126           127           128           129           130 
      1  -0.897943D+00 -0.322397D+01  0.226749D+01  0.250232D+00  0.239112D+01
      2  -0.357501D+01  0.226749D+01 -0.270460D+01 -0.291973D+00 -0.278145D+01
      3  -0.265557D+01  0.250232D+00 -0.291973D+00 -0.480439D+00 -0.518271D+00
               131           132           133           134           135 
      1  -0.278145D+01 -0.518271D+00  0.201730D+00 -0.420080D+00  0.931526D-04
      2   0.581325D+01  0.801636D+00 -0.420080D+00  0.988446D+00  0.150588D+00
      3   0.801636D+00  0.877923D+00  0.931526D-04  0.150588D+00  0.164497D+00
               136           137           138           139           140 
      1   0.220715D+01  0.253548D+01  0.627443D+00  0.225903D+01  0.360393D+01
      2   0.253548D+01  0.275892D+01  0.633080D+00  0.360393D+01  0.904650D+01
      3   0.627443D+00  0.633080D+00  0.516612D+00  0.805440D+00  0.185847D+01
               141           142           143           144           145 
      1   0.805440D+00  0.622439D+00  0.902931D+00  0.231706D+00  0.126852D+02
      2   0.185847D+01  0.902931D+00  0.200701D+01  0.489846D+00  0.119932D+01
      3   0.132448D+01  0.231706D+00  0.489846D+00  0.350544D+00  0.926474D+00
               146           147           148           149           150 
      1   0.119932D+01  0.926474D+00  0.113482D+01  0.162706D+01  0.399860D+00
      2   0.900047D+00  0.557249D-01  0.162706D+01  0.468298D+00  0.146944D+00
      3   0.557249D-01  0.104488D+01  0.399860D+00  0.146944D+00  0.165635D+00
               151           152           153           154           155 
      1   0.107651D+01  0.412633D+00  0.114151D+00  0.473398D+01 -0.371509D+01
      2   0.412633D+00  0.129423D+00  0.330075D-01 -0.371509D+01  0.342566D+01
      3   0.114151D+00  0.330075D-01  0.144142D+00 -0.572560D+00  0.425753D+00
               156           157           158           159           160 
      1  -0.572560D+00 -0.361818D+01  0.427401D+01  0.778387D+00 -0.545921D+00
      2   0.425753D+00  0.427401D+01 -0.644476D+01 -0.100211D+01  0.643311D+00
      3   0.645779D+00  0.778387D+00 -0.100211D+01 -0.960181D+00  0.166202D+00
               161           162           163           164           165 
      1   0.643311D+00  0.166202D+00 -0.155160D+01 -0.172316D+01 -0.461091D+00
      2  -0.119302D+01 -0.221473D+00 -0.172316D+01 -0.214846D+01 -0.567102D+00
      3  -0.221473D+00 -0.186417D+00 -0.461091D+00 -0.567102D+00 -0.401525D+00
               166           167           168           169           170 
      1  -0.156594D+01 -0.198844D+01 -0.483393D+00 -0.505964D+00 -0.652586D+00
      2  -0.198844D+01 -0.809030D+01 -0.182749D+01 -0.652586D+00 -0.196698D+01
      3  -0.483393D+00 -0.182749D+01 -0.130584D+01 -0.608374D-01 -0.504449D+00
               171 
      1  -0.608374D-01
      2  -0.504449D+00
      3  -0.353952D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.330808D+00  0.275512D+01  0.244860D+01  0.340561D+00 -0.321262D+01
      2  -0.404257D+01 -0.358976D+01  0.129184D+02 -0.283920D+00  0.747950D+00
      3   0.357046D+01 -0.973011D+01  0.531722D+01 -0.276580D+01  0.554691D+01
                 6             7             8             9            10 
      1  -0.263082D+01 -0.118966D+01  0.416884D+01 -0.497305D+01 -0.117671D+01
      2   0.765793D+00  0.520680D+01  0.361747D+01 -0.102848D+02  0.368734D+01
      3  -0.270002D+01  0.279051D+01  0.830429D+00 -0.355738D+01 -0.217717D+01
                11            12            13            14            15 
      1  -0.495759D+00  0.331695D-01  0.163514D+01  0.328183D+01 -0.578601D+00
      2   0.174459D+01 -0.240333D+01  0.633820D+00 -0.726815D+01 -0.185208D+01
      3   0.715391D+00 -0.558166D+00  0.121796D+02  0.461526D+01  0.894819D+01
                16            17            18            19            20 
      1   0.365589D+01  0.291966D+01 -0.104064D+01 -0.821256D-01 -0.510544D+00
      2  -0.156251D+02 -0.462321D+01  0.239488D+01  0.515282D+01  0.208004D+01
      3   0.283462D+00  0.898606D+01  0.816234D+00  0.215232D+01  0.196254D+01
                21            22            23            24            25 
      1  -0.194966D+01 -0.205329D+00 -0.153012D+00 -0.118332D+01 -0.676722D+00
      2  -0.604253D+01  0.418468D+00  0.239097D+01 -0.371589D+01 -0.491247D+01
      3  -0.290768D+01  0.162770D+01  0.259500D+01 -0.252614D+01 -0.122080D+01
                26            27            28            29            30 
      1   0.972589D+00  0.442827D+01 -0.393463D+00 -0.153607D+00 -0.966615D+00
      2  -0.534889D+01  0.164138D+02  0.833332D+00  0.285306D+00  0.235023D+01
      3  -0.352007D+01  0.738826D+01 -0.321978D+01 -0.223423D+01 -0.430939D+00
                31            32            33            34            35 
      1  -0.366291D+00  0.744852D+00 -0.338536D+01 -0.767636D+00  0.512347D+00
      2  -0.368543D+00  0.382150D+01  0.434774D+01  0.605417D+00  0.273036D+01
      3   0.121777D+01 -0.113598D+02 -0.443698D+01  0.226152D+00 -0.450512D+01
                36            37            38            39            40 
      1  -0.214682D+01  0.263027D+01 -0.315655D+01 -0.512906D+00 -0.126459D+00
      2   0.367292D+01 -0.122138D+02 -0.428073D+01  0.103197D+02 -0.345368D+01
      3  -0.287271D+01  0.992809D+00 -0.922933D+01  0.154270D+01 -0.229963D+01
                41            42            43            44            45 
      1  -0.235302D+01 -0.968440D+01 -0.181477D+01 -0.458871D+01  0.771077D-01
      2   0.134430D+02  0.700193D+00  0.624398D+01  0.220290D+01  0.107421D+01
      3  -0.931519D-01 -0.137274D+02 -0.264742D+00 -0.126165D+02 -0.135875D+00
                46            47            48            49            50 
      1  -0.618191D+00 -0.186389D-01  0.355618D+00 -0.113828D+01 -0.335360D+01
      2  -0.408834D+01 -0.908856D+00 -0.124111D+01 -0.143226D+01  0.742059D+00
      3   0.932224D+00  0.613685D+01  0.849453D+00  0.173982D+02  0.159068D+01
                51            52            53            54            55 
      1   0.784117D+00 -0.715052D+00  0.101023D+02  0.206443D+01 -0.918219D+00
      2   0.132923D+00 -0.138407D+02  0.376621D+00 -0.520302D+00  0.100189D+02
      3  -0.138435D+01  0.451320D+00 -0.250477D+00  0.516239D+00  0.265528D+01
                56            57            58            59            60 
      1  -0.188621D+01 -0.111185D+01 -0.153317D+01 -0.161015D+00 -0.237183D+00
      2   0.123110D+01  0.603424D+01  0.134479D+01 -0.341631D+00  0.849098D+00
      3  -0.560432D+01 -0.213918D+00 -0.206462D+01 -0.957361D+00  0.151420D+01
                61            62            63            64            65 
      1  -0.475829D+00  0.916868D+00 -0.309851D+00  0.160852D+01  0.131751D+01
      2   0.131896D+01  0.902385D-01  0.148172D+01 -0.155303D+01 -0.117612D+01
      3  -0.760877D-01  0.116228D+01  0.370108D+00  0.268428D+01  0.111034D+01
                66            67            68            69            70 
      1   0.114579D+00  0.448434D+00  0.769573D+01  0.296125D+01 -0.250630D+00
      2  -0.191014D+01 -0.161668D+01 -0.691287D+01 -0.736899D+01 -0.203386D+01
      3   0.127035D+00  0.203860D+01  0.105346D+02  0.671580D+01 -0.488403D+00
                71            72            73            74            75 
      1   0.534822D+01  0.353717D+01 -0.126438D+01  0.200270D+01  0.562461D+00
      2  -0.422874D+01 -0.764643D+01 -0.288453D+01  0.283409D+01 -0.325785D+01
      3   0.571776D+01  0.456758D+01 -0.360597D+01  0.356234D+01 -0.207315D+01
                76            77            78            79            80 
      1   0.101748D+01 -0.461447D+01  0.249167D+00  0.206712D+00  0.347365D+01
      2   0.296914D+01 -0.746856D+01  0.627919D+01 -0.326964D+01  0.479873D+01
      3   0.416480D+01 -0.101442D+02  0.665298D+01 -0.106823D+01  0.553326D+01
                81            82            83            84            85 
      1  -0.277858D+00 -0.236272D+00 -0.138598D+00  0.205651D+01 -0.960485D+00
      2  -0.723538D+01  0.189467D+01  0.346737D+00 -0.102311D+01  0.368188D+01
      3  -0.495449D+01  0.126758D+00  0.218891D+00  0.682927D+00  0.216772D+01
                86            87            88            89            90 
      1   0.263202D+00 -0.223398D+01  0.732352D+01  0.327449D+01  0.714930D+00
      2   0.596504D+00  0.114313D+01 -0.121926D+02  0.542042D-01  0.521005D-01
      3  -0.697077D+01  0.757248D+00 -0.155410D+01 -0.167493D+00 -0.616399D+01
                91            92            93            94            95 
      1  -0.833706D-02  0.902995D+00 -0.167005D+01  0.140759D+01 -0.135891D+00
      2  -0.596499D+00  0.229937D+01  0.116153D+01  0.137715D+01 -0.272509D+01
      3   0.228643D+01 -0.128968D+02 -0.211110D+01  0.300633D+01 -0.783971D+00
                96            97            98            99           100 
      1  -0.222469D+01 -0.518096D+01  0.706732D+00 -0.116623D+01  0.312136D+00
      2   0.342541D+01 -0.778715D+01  0.868382D+01  0.411691D+01  0.406265D+00
      3   0.165382D+01 -0.183441D+00  0.281185D+01 -0.426423D+01 -0.242946D+01
               101           102           103           104           105 
      1  -0.684481D+00 -0.683778D+00 -0.111493D+01 -0.251545D+01  0.743711D+00
      2  -0.137713D+00  0.574930D+01 -0.440727D+01  0.124433D+00  0.633576D+00
      3  -0.633792D+01 -0.109714D+00  0.115216D+02 -0.160865D+01  0.944078D+00
               106           107           108           109           110 
      1  -0.193923D+01  0.111263D+02  0.272599D+01 -0.245846D+00 -0.533391D+00
      2   0.720510D+01  0.235560D+01  0.169582D+01 -0.100941D+01  0.159738D+01
      3   0.335868D+01  0.582037D+00 -0.877984D+00  0.411962D+01 -0.100868D+02
               111           112           113           114           115 
      1   0.198542D+01 -0.130966D+01 -0.224544D+00 -0.152729D+01  0.673473D+01
      2   0.259401D+01 -0.958204D+00  0.292880D+01 -0.385929D+01 -0.344377D+01
      3  -0.165635D+01  0.681178D+01  0.105109D+01 -0.173028D+01  0.248541D+00
               116           117           118           119           120 
      1   0.351925D+01  0.102006D+01 -0.866685D-01  0.104885D+01 -0.137235D+01
      2  -0.101188D+02 -0.333151D+01  0.335914D+01  0.155076D+01 -0.485482D+00
      3  -0.300533D+01  0.427509D+01 -0.561745D+01 -0.371420D+01 -0.196958D+01
               121           122           123           124           125 
      1   0.104831D+01  0.832269D+00 -0.222792D+01 -0.500546D+01  0.102345D+01
      2   0.160627D+01 -0.671428D+00 -0.122138D+01 -0.134707D+02 -0.127587D+01
      3   0.318640D+01  0.674185D+01  0.130950D+00 -0.218465D+01 -0.102253D+01
               126           127           128           129           130 
      1  -0.497840D+00  0.145012D+00 -0.563996D+00  0.227721D+01  0.235402D+00
      2  -0.278136D+01  0.154520D+01 -0.721364D+00  0.693842D+00 -0.712360D+00
      3   0.516818D+01 -0.860768D+01  0.347649D+01  0.316313D+00  0.631113D+01
               131           132           133           134           135 
      1  -0.302235D-01 -0.307090D+01 -0.177672D+00  0.182542D+01 -0.752102D-01
      2   0.105600D+01 -0.103589D+01 -0.153312D+01  0.422676D+00 -0.286060D+00
      3  -0.490733D+01 -0.116859D+01 -0.183606D+00 -0.928034D+00 -0.102679D+00
               136           137           138           139           140 
      1  -0.161747D+00  0.760242D-01 -0.167271D+01 -0.151221D+00  0.508207D+00
      2   0.240134D+00  0.504445D+00  0.161335D+01  0.433202D+00  0.262690D+01
      3  -0.705716D+00 -0.237978D+01 -0.360012D+00 -0.114113D+01 -0.129783D+02
               141           142           143           144           145 
      1  -0.429695D+01  0.607210D+00  0.184324D+01 -0.640141D+00 -0.962422D-01
      2   0.336332D+01 -0.467002D+00  0.202655D-01  0.777738D+00  0.104368D+01
      3  -0.243112D+01 -0.347792D+00 -0.300658D+01 -0.610296D+00 -0.659985D+00
               146           147           148           149           150 
      1   0.360419D+00 -0.589183D+00  0.639499D-01  0.309954D-01 -0.387921D+00
      2  -0.732399D-01  0.626934D+01  0.142387D+01  0.335000D+00  0.868849D+00
      3  -0.526778D+01  0.113672D+00 -0.383061D+01 -0.137624D+01 -0.375987D+00
               151           152           153           154           155 
      1   0.350551D+00  0.475234D+00 -0.749549D-02  0.139745D+00 -0.528913D+00
      2  -0.249931D+01 -0.148299D+00  0.404011D+00 -0.134990D-01  0.163241D-01
      3  -0.106858D+01 -0.675989D+00 -0.261561D-01  0.135903D+01 -0.452836D+01
               156           157           158           159           160 
      1   0.222472D+01  0.281108D+00  0.201063D+00 -0.327306D+01 -0.861350D+00
      2   0.284203D+01  0.785926D+00 -0.140555D+01 -0.348605D+01 -0.753226D+00
      3  -0.204895D+00 -0.318031D+01  0.107054D+02  0.129106D+01 -0.842327D+00
               161           162           163           164           165 
      1   0.146602D+01 -0.337053D+00  0.121703D+00  0.207075D+00 -0.152919D+01
      2   0.519058D+00 -0.379913D+00 -0.145130D+01 -0.105095D+01  0.721288D-01
      3   0.206824D+01  0.246427D+00  0.577560D+01  0.359780D+01  0.109523D+01
               166           167           168           169           170 
      1   0.993562D-01  0.644291D+00 -0.405035D+01  0.544763D+00  0.214308D+01
      2  -0.144159D+01 -0.201984D+01  0.303637D-01 -0.174511D+01 -0.495267D+00
      3   0.664402D+01  0.816617D+01  0.220112D+01  0.212409D+01  0.200617D+01
               171 
      1  -0.544818D+00
      2   0.530669D-01
      3   0.217661D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.274380D+02 -0.189339D+01 -0.259475D+01 -0.881694D+01  0.244252D+01
      2  -0.153661D+02 -0.101301D+01 -0.602182D+01  0.385113D+01  0.776837D+01
      3  -0.120719D+02  0.290640D+01  0.861658D+01  0.496581D+01 -0.102109D+02
      4  -0.144275D+02  0.155063D+02 -0.697507D+01  0.195140D+02 -0.124122D+02
      5   0.123000D+02 -0.819432D+01  0.228377D+02 -0.115486D+02  0.913849D+01
      6  -0.450377D+01  0.457685D+01 -0.677619D+01  0.709468D+01 -0.411369D+01
                 6             7             8             9            10 
      1  -0.549385D+01 -0.140948D+01 -0.299354D+01  0.175217D+02  0.435951D+01
      2   0.264114D+01 -0.295120D+01 -0.215119D+01 -0.522613D+01  0.677708D+00
      3   0.285270D+01  0.436069D+01  0.514473D+01 -0.122956D+02 -0.503722D+01
      4   0.884157D+01 -0.574854D+01  0.554019D+00 -0.164796D+01  0.367920D+01
      5  -0.498502D+01  0.198193D+02 -0.243393D+00 -0.479811D+01  0.461327D+01
      6   0.602662D+01 -0.380198D+01  0.230974D+01  0.438517D+01  0.252996D+01
                11            12            13            14            15 
      1   0.171393D+01 -0.176109D+01  0.103401D+02  0.217109D+01  0.691977D+01
      2   0.269251D+00 -0.201239D+01 -0.783626D+01 -0.868761D+01 -0.119195D+02
      3  -0.198318D+01  0.377348D+01 -0.250382D+01  0.651653D+01  0.499972D+01
      4  -0.976188D+01  0.458793D+01 -0.168537D+02 -0.140434D+02 -0.183051D+02
      5   0.478284D+01 -0.153105D+02  0.125537D+02 -0.172994D+02 -0.548670D+00
      6  -0.109238D+01 -0.435349D-01 -0.681423D+01 -0.865188D+01 -0.695764D+01
                16            17            18            19            20 
      1   0.451534D+01  0.628698D+01 -0.638155D+01 -0.330161D+01 -0.344162D+01
      2  -0.931225D+01 -0.548493D+01  0.771855D+01  0.612040D+00  0.364279D+00
      3   0.479691D+01 -0.802043D+00 -0.133700D+01  0.268957D+01  0.307734D+01
      4   0.107286D+02 -0.140780D+02 -0.725855D+01  0.300031D+00 -0.217520D+01
      5  -0.297272D+02 -0.705893D+01  0.468431D+01  0.117212D+01  0.204226D+01
      6  -0.537679D+01 -0.754872D+01  0.128561D+01 -0.692285D+00 -0.248651D+01
                21            22            23            24            25 
      1   0.102537D+02 -0.154190D+01 -0.457245D+01  0.462292D+01  0.715569D+01
      2   0.420211D+00  0.185886D+00  0.196537D+01 -0.938195D+00 -0.279722D+01
      3  -0.106739D+02  0.135602D+01  0.260707D+01 -0.368473D+01 -0.435846D+01
      4   0.125306D+01  0.224904D+01 -0.422697D+01  0.339504D+01 -0.240341D+01
      5  -0.557644D+01 -0.589244D+00  0.327216D+01 -0.509828D+01  0.347480D+01
      6   0.456858D+01 -0.108773D+00 -0.385392D+01  0.690334D+01  0.854032D+00
                26            27            28            29            30 
      1   0.602387D+01 -0.202687D+02  0.272819D+01  0.303901D+01  0.222742D+01
      2   0.335134D+00 -0.664066D+01  0.673527D+00 -0.353177D+00 -0.412969D+00
      3  -0.635901D+01  0.269094D+02 -0.340172D+01 -0.268583D+01 -0.181445D+01
      4   0.461020D+01 -0.600910D+01  0.825066D+01  0.940029D+01  0.314179D+01
      5  -0.726780D+01  0.225456D+02  0.388195D+01  0.315977D+01  0.679603D+01
      6   0.660394D+01 -0.120568D+02  0.388967D+01  0.177473D+01  0.149349D+01
                31            32            33            34            35 
      1   0.180701D+01 -0.946844D+01 -0.472490D+01  0.884091D+00 -0.496859D+01
      2   0.210973D+01  0.169197D+02  0.537716D+01  0.555846D+00  0.415821D+01
      3  -0.391674D+01 -0.745129D+01 -0.652267D+00 -0.143994D+01  0.810389D+00
      4   0.128904D+02  0.258287D+02  0.969150D+01  0.452437D+01  0.102242D+02
      5   0.385405D+01  0.943446D+01  0.984600D+01  0.854693D+01  0.812184D+01
      6   0.378723D+01  0.136399D+02  0.947789D+01  0.383255D+01  0.105062D+02
                36            37            38            39            40 
      1  -0.436260D+01 -0.541728D+02 -0.130390D+02  0.772767D+01 -0.122976D+02
      2   0.843705D+00  0.229453D+02  0.760591D+01  0.622686D+00  0.676841D+01
      3   0.351890D+01  0.312275D+02  0.543313D+01 -0.835036D+01  0.552919D+01
      4   0.850863D+01 -0.165936D+02  0.816357D+01 -0.274084D+01  0.680768D+01
      5   0.898188D+01  0.104178D+02 -0.478633D+00  0.129765D+02 -0.226831D+01
      6   0.869958D+01  0.338920D+01 -0.684226D+01  0.358157D+01 -0.266198D+01
                41            42            43            44            45 
      1   0.181160D+02 -0.403980D+01 -0.461129D+01 -0.626569D+01  0.132678D+02
      2  -0.381835D+01  0.904618D+01  0.112773D+02  0.903370D+01 -0.132282D+02
      3  -0.142977D+02 -0.500638D+01 -0.666599D+01 -0.276801D+01 -0.395875D-01
      4   0.468996D+01  0.184171D+02 -0.763266D+01  0.151946D+02  0.756731D+01
      5   0.139247D+02  0.512995D+01  0.243758D+02  0.742025D+01 -0.110906D+02
      6   0.200617D+01 -0.129715D+02  0.656361D+01 -0.963714D+01 -0.273911D+01
                46            47            48            49            50 
      1  -0.162083D+02 -0.244757D+01 -0.253667D+01  0.395527D+01 -0.952549D+01
      2   0.271092D+01  0.144116D+01 -0.583534D+00 -0.528625D+01  0.143096D+02
      3   0.134974D+02  0.100641D+01  0.312021D+01  0.133097D+01 -0.478408D+01
      4   0.255546D+01  0.416099D+01 -0.101691D+01 -0.113181D+02 -0.194398D+01
      5  -0.650562D+01 -0.152999D+01  0.237239D+01 -0.426240D+01  0.885325D+00
      6  -0.392379D+01  0.834511D+00  0.544359D+00 -0.360473D+01  0.529374D+01
                51            52            53            54            55 
      1  -0.889394D+00 -0.590669D+01 -0.199143D+01 -0.851273D+01  0.846652D+02
      2   0.600133D+01 -0.859779D+00  0.445209D+01 -0.448997D+01 -0.427233D+02
      3  -0.511193D+01  0.676647D+01 -0.246066D+01  0.130027D+02 -0.419419D+02
      4   0.747006D+00 -0.502912D+01  0.171942D+01  0.119954D+01  0.202340D+02
      5   0.151930D+00  0.504642D+01  0.106096D+01 -0.919931D+00 -0.267502D+02
      6  -0.136216D+01  0.551144D+00  0.522759D+01 -0.294525D+01 -0.391592D+01
                56            57            58            59            60 
      1   0.854730D+01 -0.472912D+01  0.766188D+01  0.582215D+01  0.314647D+00
      2  -0.266383D+01  0.595782D+01 -0.212436D+01 -0.217193D+01 -0.270629D+00
      3  -0.588348D+01 -0.122869D+01 -0.553752D+01 -0.365022D+01 -0.440177D-01
      4   0.127381D+02 -0.192922D+01  0.137050D+02  0.498000D+01 -0.271450D+01
      5  -0.324359D+01  0.139357D+02 -0.283498D+01 -0.376364D+01  0.167366D+01
      6  -0.312480D+01  0.223168D+01 -0.251446D+01 -0.134137D+01  0.301906D+01
                61            62            63            64            65 
      1   0.655564D+01  0.127495D+01  0.498826D+01  0.357932D+01 -0.247637D+01
      2  -0.115768D+01 -0.511196D+00 -0.306393D+01 -0.202473D+01  0.123090D+01
      3  -0.539796D+01 -0.763758D+00 -0.192433D+01 -0.155459D+01  0.124546D+01
      4   0.201936D+01 -0.340808D+00  0.123674D+01 -0.153223D+01 -0.307151D+00
      5   0.739190D+01  0.516877D+00 -0.258435D-01 -0.155034D+01  0.176595D+01
      6   0.111857D+01  0.193834D+01  0.982624D-01  0.215257D+01  0.171491D+01
                66            67            68            69            70 
      1  -0.463644D+01 -0.613688D+01 -0.841853D+01 -0.550013D+01 -0.315696D+01
      2   0.138414D+00  0.445884D+01  0.163653D+01 -0.535698D+01  0.229896D+01
      3   0.449803D+01  0.167804D+01  0.678200D+01  0.108571D+02  0.858003D+00
      4   0.371412D+00  0.274733D+01 -0.180067D+02 -0.116328D+02  0.173429D+01
      5  -0.763180D+00  0.781185D+01 -0.970703D+01 -0.140920D+02  0.404897D+01
      6   0.145952D+00 -0.544338D+00  0.129727D+02  0.103752D+02 -0.863238D+00
                71            72            73            74            75 
      1  -0.406196D+01 -0.983655D+01 -0.713062D+00  0.829113D+01 -0.738852D+01
      2  -0.402448D+01 -0.536559D+01  0.100732D+01 -0.527484D+01  0.130838D+01
      3   0.808644D+01  0.152021D+02 -0.294260D+00 -0.301630D+01  0.608014D+01
      4  -0.984513D+01 -0.817910D+01  0.184328D+01 -0.218588D+01  0.116714D+01
      5  -0.696292D+01 -0.127424D+02  0.205189D+00 -0.435316D+00 -0.227258D+01
      6   0.949943D+01  0.760584D+01 -0.347813D+01  0.548843D+01 -0.474549D+01
                76            77            78            79            80 
      1   0.813904D+01 -0.171602D+02  0.114575D+02 -0.360168D+01  0.957912D+01
      2  -0.473570D+01  0.137134D+02 -0.376762D+01  0.903427D+00 -0.292655D+01
      3  -0.340335D+01  0.344681D+01 -0.768983D+01  0.269825D+01 -0.665257D+01
      4   0.316578D+01  0.151731D+02 -0.104043D+02 -0.648571D+00 -0.845101D+01
      5  -0.463919D+01 -0.782849D+01  0.845371D+01  0.237887D+01  0.528024D+01
      6   0.872255D+00 -0.169787D+02  0.144957D+02 -0.129734D+01  0.127211D+02
                81            82            83            84            85 
      1  -0.141610D+02 -0.852701D+00  0.165029D+02  0.401240D+01 -0.491974D+01
      2   0.846576D+00  0.215422D-01 -0.124780D+02 -0.230011D+00  0.137265D+02
      3   0.133144D+02  0.831159D+00 -0.402484D+01 -0.378238D+01 -0.880681D+01
      4   0.599419D+01  0.115429D+02 -0.112982D+02 -0.679783D+00  0.405190D+01
      5  -0.871544D+01  0.268448D+01 -0.122401D+01 -0.178241D+01  0.254605D+01
      6  -0.118786D+02  0.237439D+01 -0.175316D+01 -0.439870D+01  0.816841D+01
                86            87            88            89            90 
      1   0.240946D+01  0.441502D+01 -0.156194D+01  0.570621D+01 -0.141927D+02
      2  -0.543955D+01 -0.295515D+01  0.680476D+01 -0.773595D+01  0.249416D+01
      3   0.303009D+01 -0.145987D+01 -0.524283D+01  0.202975D+01  0.116985D+02
      4   0.137286D+02  0.275362D+01  0.323149D+01  0.114899D+01  0.283410D+01
      5   0.279397D+01 -0.246097D+00  0.277682D+01  0.158756D+01 -0.984598D+00
      6  -0.530789D+01  0.482943D+01 -0.417661D+01  0.119098D+02 -0.481187D+00
                91            92            93            94            95 
      1   0.873740D+01 -0.214082D+02 -0.257316D+01  0.207927D+02  0.118228D+02
      2  -0.906473D+01  0.147887D+02  0.880655D+00 -0.173105D+02 -0.146426D+02
      3   0.327333D+00  0.661947D+01  0.169251D+01 -0.348222D+01  0.281985D+01
      4  -0.148325D+02 -0.548601D+01 -0.344795D+01  0.106991D+02 -0.275699D+01
      5  -0.497485D+01 -0.220553D+01 -0.589348D+00  0.403539D+00 -0.592167D+01
      6  -0.453233D+01 -0.100696D+01  0.341789D+01 -0.432706D+01 -0.967204D+01
                96            97            98            99           100 
      1   0.363908D+01  0.421405D+01  0.610394D+00 -0.526867D+01 -0.950789D+01
      2  -0.556749D+01 -0.697584D+01 -0.821286D+01 -0.429364D+01  0.726611D+01
      3   0.192841D+01  0.276179D+01  0.760246D+01  0.956230D+01  0.224178D+01
      4  -0.538859D+01 -0.316317D+01 -0.911493D+01  0.138263D+02 -0.194003D+01
      5   0.727836D+01  0.117285D+02  0.143529D+02  0.852349D+01 -0.366304D+01
      6   0.347520D+01  0.622902D+01  0.138975D+02  0.345361D+01  0.113705D+01
               101           102           103           104           105 
      1  -0.295103D+01 -0.444775D+01  0.966650D+01 -0.218587D+02 -0.742953D+01
      2   0.239371D+01  0.213200D+01 -0.781179D+01  0.184484D+02  0.847163D+01
      3   0.557323D+00  0.231575D+01 -0.185471D+01  0.341029D+01 -0.104210D+01
      4   0.214059D+02  0.118655D+01 -0.185589D+02 -0.368981D+01 -0.338236D+01
      5   0.887267D+00  0.133253D+02 -0.115105D+02 -0.129727D+01  0.717933D+00
      6   0.564749D+00  0.164305D+01 -0.301007D+01  0.330442D+01 -0.136831D+01
               106           107           108           109           110 
      1  -0.397626D+01 -0.874441D+01  0.143118D+02 -0.209984D+01  0.227952D+02
      2  -0.401020D+00  0.638382D+01 -0.166091D+02 -0.192648D+01 -0.151988D+02
      3   0.437728D+01  0.236059D+01  0.229728D+01  0.402633D+01 -0.759635D+01
      4  -0.123718D+02 -0.132597D+01  0.242468D+01  0.152594D+02  0.340336D+01
      5   0.346415D+02  0.326024D+01  0.462753D+01  0.150705D+00  0.647217D+00
      6   0.163125D+01  0.473596D+01 -0.380016D+01  0.490104D+00 -0.211525D+01
               111           112           113           114           115 
      1   0.473955D+01 -0.267143D+02  0.532793D+01  0.358924D+00 -0.791808D+01
      2  -0.834285D+00  0.237969D+02 -0.832226D+01 -0.891905D+00  0.975389D+01
      3  -0.390527D+01  0.291744D+01  0.299433D+01  0.532980D+00 -0.183581D+01
      4   0.207822D+01  0.182273D+01  0.956156D+01  0.821034D+01 -0.149158D+01
      5   0.535468D+01 -0.522091D+01  0.689223D+01 -0.780016D+01  0.184596D+02
      6  -0.530979D+01  0.656206D+01 -0.562544D+01  0.325888D+01 -0.713505D+01
               116           117           118           119           120 
      1   0.434472D+01  0.253376D+01  0.115650D+02 -0.110352D+02 -0.227126D+00
      2  -0.735971D+01 -0.812077D+01 -0.737264D+01  0.921177D+01  0.230754D+00
      3   0.301499D+01  0.558700D+01 -0.419233D+01  0.182343D+01 -0.362786D-02
      4   0.871421D+01 -0.149104D+02 -0.740168D+01 -0.179407D+02 -0.319321D+01
      5  -0.150833D+02 -0.763274D+01  0.675162D+00 -0.219033D+01 -0.383803D+01
      6   0.116154D+02 -0.673523D+00 -0.145942D+01 -0.955556D+00  0.336151D+01
               121           122           123           124           125 
      1  -0.575514D+00  0.863253D+01  0.473989D+01  0.192254D+01  0.336244D+01
      2  -0.839577D+01 -0.119011D+02 -0.696635D+01 -0.438883D+01 -0.100979D+02
      3   0.897128D+01  0.326856D+01  0.222646D+01  0.246629D+01  0.673541D+01
      4   0.110001D+02 -0.131261D+02 -0.182110D+01 -0.581709D+00 -0.300592D+01
      5  -0.574564D+00 -0.227591D+01 -0.639317D+00  0.339718D+01 -0.528545D+01
      6  -0.495659D+01 -0.981869D+01  0.289707D+01  0.185970D+01  0.137881D+02
               126           127           128           129           130 
      1  -0.154218D+02 -0.495315D+01  0.745849D+01  0.871462D+00  0.792332D+01
      2   0.114270D+01  0.674250D+01 -0.106792D+02 -0.893177D+00 -0.108851D+02
      3   0.142791D+02 -0.178935D+01  0.322073D+01  0.217153D-01  0.296174D+01
      4  -0.656857D+01 -0.863649D+01  0.860950D+01  0.103486D+01  0.804135D+01
      5  -0.393621D+01 -0.101058D+01  0.112985D+01  0.183929D+01  0.126090D+01
      6   0.423654D+01  0.903147D+00 -0.132257D+01 -0.254827D+01 -0.224318D+01
               131           132           133           134           135 
      1  -0.200536D+02 -0.324610D+01  0.131889D+01 -0.327563D+01 -0.600556D+00
      2   0.272128D+02  0.260462D+01 -0.181511D+01  0.394432D+01  0.121240D+01
      3  -0.715922D+01  0.641477D+00  0.496224D+00 -0.668691D+00 -0.611847D+00
      4  -0.877693D+01 -0.941046D+00  0.117794D+01 -0.103352D+01 -0.183366D+01
      5  -0.123558D+01 -0.129293D+01  0.100900D+01 -0.670594D+00 -0.840158D+00
      6   0.429793D+01  0.514469D+01 -0.804523D+00  0.194528D+01  0.126232D+01
               136           137           138           139           140 
      1   0.532171D+01  0.449406D+01  0.863316D+00 -0.603977D+00 -0.150929D+02
      2   0.302879D+01  0.502009D+01  0.278665D+00  0.106000D+02  0.359823D+02
      3  -0.835051D+01 -0.951415D+01 -0.114198D+01 -0.999601D+01 -0.208894D+02
      4   0.179450D+02  0.222854D+02  0.467240D+01  0.231862D+02  0.448778D+02
      5   0.413598D+01  0.468824D+01  0.462901D+01  0.497132D+01  0.880866D+01
      6   0.306723D+01  0.366172D+01  0.294847D+01  0.489208D+01  0.119645D+02
               141           142           143           144           145 
      1  -0.330866D+01  0.224892D+00 -0.280661D+01 -0.210048D+01  0.957537D+02
      2   0.488754D+01  0.175725D+01  0.657001D+01  0.265889D+01 -0.539447D+02
      3  -0.157888D+01 -0.198214D+01 -0.376340D+01 -0.558413D+00 -0.418090D+02
      4   0.889311D+01  0.544687D+01  0.102064D+02  0.352130D+01  0.125593D+02
      5   0.638605D+01  0.202521D+01  0.291782D+01  0.230575D+01  0.937883D+01
      6   0.898628D+01  0.204468D+01  0.496282D+01  0.328327D+01 -0.181167D+01
               146           147           148           149           150 
      1   0.835412D+01  0.591042D+01  0.707482D+01  0.939039D+01  0.169292D+01
      2  -0.408260D+01 -0.407227D+01 -0.311545D+01 -0.432133D+01 -0.135419D+01
      3  -0.427152D+01 -0.183815D+01 -0.395937D+01 -0.506906D+01 -0.338734D+00
      4   0.958919D+01  0.483527D+00  0.151319D+02  0.415934D+01  0.130001D+01
      5   0.506595D+00  0.109646D+02  0.324397D+01  0.145716D+01  0.144200D+01
      6   0.295088D+00  0.609210D+00  0.795911D+00 -0.106385D+00  0.155490D+01
               151           152           153           154           155 
      1   0.759093D+01  0.196905D+01  0.339597D+01  0.208217D+02 -0.130597D+02
      2  -0.429377D+01 -0.109882D+01 -0.232733D+01 -0.363108D+01 -0.129167D+01
      3  -0.329716D+01 -0.870232D+00 -0.106863D+01 -0.171907D+02  0.143514D+02
      4   0.370525D+01  0.146238D+01  0.765545D+00 -0.317624D+02  0.292840D+02
      5   0.351229D+01  0.477270D+00  0.154061D+01 -0.541782D+01  0.380677D+01
      6   0.166789D+00  0.757378D+00  0.339543D+00  0.200694D+01 -0.175970D+01
               156           157           158           159           160 
      1  -0.229493D+01 -0.888075D+01  0.304567D+01  0.748481D+00 -0.672746D+00
      2   0.853449D+00 -0.611429D+01  0.166639D+02  0.733618D+00 -0.115247D+01
      3   0.144148D+01  0.149950D+02 -0.197096D+02 -0.148210D+01  0.182522D+01
      4   0.375361D+01  0.324258D+02 -0.428614D+02 -0.646938D+01  0.505622D+01
      5   0.610860D+01  0.577699D+01 -0.670348D+01 -0.616719D+01  0.222044D+01
      6  -0.325535D+01 -0.359029D+01  0.495698D+01  0.597581D+01 -0.172107D+01
               161           162           163           164           165 
      1   0.358500D-01 -0.311730D+00 -0.517980D+01 -0.847182D+01 -0.253749D+01
      2   0.247322D+01  0.991859D+00  0.637767D+01  0.102233D+02  0.179801D+01
      3  -0.250907D+01 -0.680129D+00 -0.119787D+01 -0.175152D+01  0.739472D+00
      4  -0.662556D+01 -0.285085D+01  0.368634D+01  0.705773D+01  0.135467D+01
      5  -0.231455D+01 -0.144768D+01  0.916049D+00  0.118716D+01  0.149940D+01
      6   0.273319D+01  0.173467D+01  0.237705D+01  0.354816D+01  0.253156D+01
               166           167           168           169           170 
      1  -0.735917D+01 -0.313297D+02 -0.767821D+01 -0.200634D+01 -0.748720D+01
      2   0.909025D+01  0.412833D+02  0.702769D+01  0.231435D+01  0.885159D+01
      3  -0.173108D+01 -0.995358D+01  0.650515D+00 -0.308008D+00 -0.136440D+01
      4   0.527796D+01 -0.425439D+00 -0.531073D+00  0.144617D+01 -0.136000D-01
      5   0.102636D+01 -0.574697D+00 -0.209905D+00  0.859104D+00  0.620106D+00
      6   0.286221D+01  0.121358D+02  0.874628D+01  0.105440D+01  0.448343D+01
               171 
      1  -0.293812D+01
      2   0.311869D+01
      3  -0.180574D+00
      4   0.137990D+01
      5   0.583684D+00
      6   0.329238D+01
 Leave Link  716 at Thu Aug 12 22:44:04 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125985D+03  0.729147D+00  0.659129D+00
      2   0.729147D+00  0.102449D+03  0.510219D+01
      3   0.659129D+00  0.510219D+01  0.725067D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.115099D+01  0.595818D+01  0.450324D+01
      2   0.193323D+01  0.127510D+02 -0.606868D+01
      3  -0.808684D+01 -0.411604D+02 -0.126216D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.954493D+02  0.408914D+01  0.553619D+01
      2  -0.328281D+02 -0.114974D+02 -0.150013D+02
      3  -0.626212D+02  0.740822D+01  0.946507D+01
      4  -0.132090D+02  0.816130D+02  0.292502D+02
      5   0.313569D+02  0.304138D+02 -0.191696D+02
      6   0.118394D+02  0.971673D+01 -0.639087D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.624108D+01  0.207579D+01 -0.123993D+01  0.384993D+01 -0.231123D+01
      2   0.207579D+01 -0.124118D+01  0.179143D+01 -0.231123D+01  0.145620D+01
      3  -0.123993D+01  0.179143D+01 -0.352536D+01  0.145465D+01 -0.139115D+01
                 6             7             8             9            10 
      1   0.145465D+01  0.485517D+00  0.916849D+00 -0.265474D+01  0.549652D+01
      2  -0.139115D+01  0.916849D+00  0.988785D+00 -0.551655D+00  0.180232D+00
      3   0.363967D-01 -0.265474D+01 -0.551655D+00  0.348229D+01 -0.102106D+01
                11            12            13            14            15 
      1   0.180232D+00 -0.102106D+01 -0.285639D+00  0.281660D+01 -0.165415D+01
      2   0.728326D+00 -0.123352D+01  0.281660D+01  0.378871D+01  0.377768D+01
      3  -0.123352D+01  0.222421D+01 -0.165415D+01  0.377768D+01  0.856412D+00
                16            17            18            19            20 
      1  -0.401078D+01 -0.140453D+01  0.479982D+01  0.109601D+01  0.802792D-01
      2  -0.140453D+01  0.250272D+01  0.166012D+01  0.802792D-01  0.521606D+00
      3   0.479982D+01  0.166012D+01 -0.127663D+01 -0.525263D+00 -0.954425D+00
                21            22            23            24            25 
      1  -0.525263D+00  0.187974D+00 -0.223011D+00 -0.112598D+00 -0.165643D+01
      2  -0.954425D+00 -0.223011D+00  0.124894D+01 -0.114502D+01  0.536829D-01
      3   0.241061D+01 -0.112598D+00 -0.114502D+01  0.140896D+01  0.130730D+00
                26            27            28            29            30 
      1   0.536829D-01  0.130730D+00 -0.626354D+00 -0.139221D+01 -0.559562D+00
      2  -0.169895D+01  0.205279D+01 -0.139221D+01 -0.965009D+00 -0.335583D+00
      3   0.205279D+01 -0.695453D+01 -0.559562D+00 -0.335583D+00 -0.902556D+00
                31            32            33            34            35 
      1  -0.292785D+01 -0.199337D+01 -0.542345D+00 -0.700983D+00 -0.624509D+00
      2  -0.199337D+01 -0.580558D+01 -0.220222D+01 -0.624509D+00 -0.233916D+01
      3  -0.542345D+00 -0.220222D+01 -0.223705D+01 -0.130180D+01 -0.193290D+01
                36            37            38            39            40 
      1  -0.130180D+01  0.843952D+01  0.154571D+01  0.305849D+00  0.142291D+01
      2  -0.193290D+01  0.154571D+01 -0.173952D+01  0.914840D+00 -0.153454D+01
      3  -0.217881D+01  0.305849D+00  0.914840D+00 -0.271254D+01  0.114141D+01
                41            42            43            44            45 
      1  -0.153454D+01  0.114141D+01  0.557095D+01  0.145872D+01 -0.400383D+01
      2  -0.299671D+00 -0.422791D+01  0.145872D+01 -0.322222D+01 -0.107644D+01
      3  -0.422791D+01 -0.618514D+00 -0.400383D+01 -0.107644D+01  0.106571D+01
                46            47            48            49            50 
      1  -0.179613D+02 -0.185255D+01  0.213648D-01 -0.337255D+01  0.149165D+01
      2  -0.185255D+01 -0.267596D+01  0.187298D+00  0.149165D+01 -0.367960D+00
      3   0.213648D-01  0.187298D+00 -0.208706D+01  0.120267D+01 -0.242702D+00
                51            52            53            54            55 
      1   0.120267D+01 -0.105246D+01  0.117310D+01 -0.420117D+01 -0.137016D+02
      2  -0.242702D+00  0.117310D+01 -0.534245D+00 -0.502413D+00 -0.167292D+01
      3  -0.748812D-01 -0.420117D+01 -0.502413D+00 -0.609291D+00  0.152866D+01
                56            57            58            59            60 
      1  -0.167292D+01  0.152866D+01 -0.164088D+01 -0.144423D+01  0.179546D+00
      2  -0.120409D+01  0.203801D+00 -0.144423D+01 -0.568538D+00  0.549110D+00
      3   0.203801D+00 -0.154154D+01  0.179546D+00  0.549110D+00 -0.240133D+00
                61            62            63            64            65 
      1  -0.137150D+01 -0.245222D+00 -0.661862D+00 -0.251180D+00  0.610221D+00
      2  -0.245222D+00  0.743732D-01 -0.646441D-01  0.610221D+00  0.400055D+00
      3  -0.661862D+00 -0.646441D-01 -0.229565D+00  0.208222D+00  0.526737D-01
                66            67            68            69            70 
      1   0.208222D+00  0.188958D+01 -0.145809D+00 -0.815232D+00  0.625514D+00
      2   0.526737D-01 -0.145809D+00  0.361544D+01  0.238249D+01 -0.300688D+00
      3   0.894995D+00 -0.815232D+00  0.238249D+01  0.314279D+01 -0.102237D+00
                71            72            73            74            75 
      1  -0.300688D+00 -0.102237D+00  0.636460D-01 -0.904017D+00  0.496618D+00
      2   0.199438D+01  0.162613D+01 -0.904017D+00  0.120778D+01 -0.795621D+00
      3   0.162613D+01  0.319149D+01  0.496618D+00 -0.795621D+00  0.149647D+01
                76            77            78            79            80 
      1  -0.153597D+01  0.243750D+00 -0.190498D-02  0.422194D+00 -0.205228D+00
      2   0.243750D+00 -0.403531D+01  0.262727D+01 -0.205228D+00  0.212817D+01
      3  -0.190498D-02  0.262727D+01 -0.256302D+01  0.325644D+00 -0.177866D+01
                81            82            83            84            85 
      1   0.325644D+00  0.394322D+01 -0.717857D+00  0.237494D+00  0.821290D+01
      2  -0.177866D+01 -0.717857D+00 -0.327566D+01 -0.627206D+00 -0.149119D+00
      3   0.290049D+01  0.237494D+00 -0.627206D+00 -0.146357D+01  0.435657D+00
                86            87            88            89            90 
      1  -0.149119D+00  0.435657D+00  0.277033D+01 -0.145839D+00 -0.181805D+01
      2   0.145356D+01 -0.852589D+00 -0.145839D+00 -0.146324D+01  0.318986D+01
      3  -0.852589D+00  0.158121D+01 -0.181805D+01  0.318986D+01  0.116798D+01
                91            92            93            94            95 
      1  -0.413147D+01 -0.401267D+00 -0.196838D+00  0.505490D+01  0.235529D+00
      2  -0.401267D+00  0.237229D+01 -0.264642D+00  0.235529D+00  0.144268D+01
      3  -0.196838D+00 -0.264642D+00  0.823394D+00 -0.271349D+00 -0.867432D+00
                96            97            98            99           100 
      1  -0.271349D+00  0.532659D+00 -0.698309D+00  0.188194D+01  0.595108D+01
      2  -0.867432D+00 -0.698309D+00 -0.116781D+01  0.363465D+01  0.356416D+00
      3   0.146685D+01  0.188194D+01  0.363465D+01  0.237146D+01 -0.377581D+00
               101           102           103           104           105 
      1   0.356416D+00 -0.377581D+00  0.804711D+00 -0.262691D+00 -0.110260D+01
      2   0.321634D+01  0.204549D+00 -0.262691D+00  0.212294D+00 -0.498882D+00
      3   0.204549D+00  0.220558D+01 -0.110260D+01 -0.498882D+00  0.107958D+00
               106           107           108           109           110 
      1  -0.826458D-01 -0.117307D+01  0.528109D+01 -0.253589D+01 -0.881409D+00
      2  -0.117307D+01  0.474862D-01  0.471707D+00 -0.881409D+00  0.272761D+01
      3   0.528109D+01  0.471707D+00  0.847711D+00 -0.458470D+00  0.784818D+00
               111           112           113           114           115 
      1  -0.458470D+00 -0.553467D+01 -0.817517D+00 -0.998910D+00 -0.176539D+01
      2   0.784818D+00 -0.817517D+00 -0.105138D+01  0.106205D+01 -0.607785D+00
      3   0.145922D+01 -0.998910D+00  0.106205D+01 -0.140837D+01  0.277110D+01
               116           117           118           119           120 
      1  -0.607785D+00  0.277110D+01  0.560809D+01  0.240956D+01  0.810001D+00
      2   0.157537D+01 -0.310107D+01  0.240956D+01 -0.230413D+01 -0.183894D+00
      3  -0.310107D+01 -0.124156D+01  0.810001D+00 -0.183894D+00 -0.607160D+00
               121           122           123           124           125 
      1  -0.672621D+01 -0.641116D+00  0.103126D+00 -0.615765D+00  0.916623D+00
      2  -0.641116D+00 -0.188239D+01  0.105185D+01  0.916623D+00  0.114947D+01
      3   0.103126D+00  0.105185D+01 -0.156063D+01 -0.897943D+00 -0.357501D+01
               126           127           128           129           130 
      1  -0.897943D+00 -0.322397D+01  0.226749D+01  0.250232D+00  0.239112D+01
      2  -0.357501D+01  0.226749D+01 -0.270460D+01 -0.291973D+00 -0.278145D+01
      3  -0.265557D+01  0.250232D+00 -0.291973D+00 -0.480439D+00 -0.518271D+00
               131           132           133           134           135 
      1  -0.278145D+01 -0.518271D+00  0.201730D+00 -0.420080D+00  0.931526D-04
      2   0.581325D+01  0.801636D+00 -0.420080D+00  0.988446D+00  0.150588D+00
      3   0.801636D+00  0.877923D+00  0.931526D-04  0.150588D+00  0.164497D+00
               136           137           138           139           140 
      1   0.220715D+01  0.253548D+01  0.627443D+00  0.225903D+01  0.360393D+01
      2   0.253548D+01  0.275892D+01  0.633080D+00  0.360393D+01  0.904650D+01
      3   0.627443D+00  0.633080D+00  0.516612D+00  0.805440D+00  0.185847D+01
               141           142           143           144           145 
      1   0.805440D+00  0.622439D+00  0.902931D+00  0.231706D+00  0.126852D+02
      2   0.185847D+01  0.902931D+00  0.200701D+01  0.489846D+00  0.119932D+01
      3   0.132448D+01  0.231706D+00  0.489846D+00  0.350544D+00  0.926474D+00
               146           147           148           149           150 
      1   0.119932D+01  0.926474D+00  0.113482D+01  0.162706D+01  0.399860D+00
      2   0.900047D+00  0.557249D-01  0.162706D+01  0.468298D+00  0.146944D+00
      3   0.557249D-01  0.104488D+01  0.399860D+00  0.146944D+00  0.165635D+00
               151           152           153           154           155 
      1   0.107651D+01  0.412633D+00  0.114151D+00  0.473398D+01 -0.371509D+01
      2   0.412633D+00  0.129423D+00  0.330075D-01 -0.371509D+01  0.342566D+01
      3   0.114151D+00  0.330075D-01  0.144142D+00 -0.572560D+00  0.425753D+00
               156           157           158           159           160 
      1  -0.572560D+00 -0.361818D+01  0.427401D+01  0.778387D+00 -0.545921D+00
      2   0.425753D+00  0.427401D+01 -0.644476D+01 -0.100211D+01  0.643311D+00
      3   0.645779D+00  0.778387D+00 -0.100211D+01 -0.960181D+00  0.166202D+00
               161           162           163           164           165 
      1   0.643311D+00  0.166202D+00 -0.155160D+01 -0.172316D+01 -0.461091D+00
      2  -0.119302D+01 -0.221473D+00 -0.172316D+01 -0.214846D+01 -0.567102D+00
      3  -0.221473D+00 -0.186417D+00 -0.461091D+00 -0.567102D+00 -0.401525D+00
               166           167           168           169           170 
      1  -0.156594D+01 -0.198844D+01 -0.483393D+00 -0.505964D+00 -0.652586D+00
      2  -0.198844D+01 -0.809030D+01 -0.182749D+01 -0.652586D+00 -0.196698D+01
      3  -0.483393D+00 -0.182749D+01 -0.130584D+01 -0.608374D-01 -0.504449D+00
               171 
      1  -0.608374D-01
      2  -0.504449D+00
      3  -0.353952D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.330808D+00  0.275512D+01  0.244860D+01  0.340561D+00 -0.321262D+01
      2  -0.404257D+01 -0.358976D+01  0.129184D+02 -0.283920D+00  0.747950D+00
      3   0.357046D+01 -0.973011D+01  0.531722D+01 -0.276580D+01  0.554691D+01
                 6             7             8             9            10 
      1  -0.263082D+01 -0.118966D+01  0.416884D+01 -0.497305D+01 -0.117671D+01
      2   0.765793D+00  0.520680D+01  0.361747D+01 -0.102848D+02  0.368734D+01
      3  -0.270002D+01  0.279051D+01  0.830429D+00 -0.355738D+01 -0.217717D+01
                11            12            13            14            15 
      1  -0.495759D+00  0.331695D-01  0.163514D+01  0.328183D+01 -0.578601D+00
      2   0.174459D+01 -0.240333D+01  0.633820D+00 -0.726815D+01 -0.185208D+01
      3   0.715391D+00 -0.558166D+00  0.121796D+02  0.461526D+01  0.894819D+01
                16            17            18            19            20 
      1   0.365589D+01  0.291966D+01 -0.104064D+01 -0.821256D-01 -0.510544D+00
      2  -0.156251D+02 -0.462321D+01  0.239488D+01  0.515282D+01  0.208004D+01
      3   0.283462D+00  0.898606D+01  0.816234D+00  0.215232D+01  0.196254D+01
                21            22            23            24            25 
      1  -0.194966D+01 -0.205329D+00 -0.153012D+00 -0.118332D+01 -0.676722D+00
      2  -0.604253D+01  0.418468D+00  0.239097D+01 -0.371589D+01 -0.491247D+01
      3  -0.290768D+01  0.162770D+01  0.259500D+01 -0.252614D+01 -0.122080D+01
                26            27            28            29            30 
      1   0.972589D+00  0.442827D+01 -0.393463D+00 -0.153607D+00 -0.966615D+00
      2  -0.534889D+01  0.164138D+02  0.833332D+00  0.285306D+00  0.235023D+01
      3  -0.352007D+01  0.738826D+01 -0.321978D+01 -0.223423D+01 -0.430939D+00
                31            32            33            34            35 
      1  -0.366291D+00  0.744852D+00 -0.338536D+01 -0.767636D+00  0.512347D+00
      2  -0.368543D+00  0.382150D+01  0.434774D+01  0.605417D+00  0.273036D+01
      3   0.121777D+01 -0.113598D+02 -0.443698D+01  0.226152D+00 -0.450512D+01
                36            37            38            39            40 
      1  -0.214682D+01  0.263027D+01 -0.315655D+01 -0.512906D+00 -0.126459D+00
      2   0.367292D+01 -0.122138D+02 -0.428073D+01  0.103197D+02 -0.345368D+01
      3  -0.287271D+01  0.992809D+00 -0.922933D+01  0.154270D+01 -0.229963D+01
                41            42            43            44            45 
      1  -0.235302D+01 -0.968440D+01 -0.181477D+01 -0.458871D+01  0.771077D-01
      2   0.134430D+02  0.700193D+00  0.624398D+01  0.220290D+01  0.107421D+01
      3  -0.931519D-01 -0.137274D+02 -0.264742D+00 -0.126165D+02 -0.135875D+00
                46            47            48            49            50 
      1  -0.618191D+00 -0.186389D-01  0.355618D+00 -0.113828D+01 -0.335360D+01
      2  -0.408834D+01 -0.908856D+00 -0.124111D+01 -0.143226D+01  0.742059D+00
      3   0.932224D+00  0.613685D+01  0.849453D+00  0.173982D+02  0.159068D+01
                51            52            53            54            55 
      1   0.784117D+00 -0.715052D+00  0.101023D+02  0.206443D+01 -0.918219D+00
      2   0.132923D+00 -0.138407D+02  0.376621D+00 -0.520302D+00  0.100189D+02
      3  -0.138435D+01  0.451320D+00 -0.250477D+00  0.516239D+00  0.265528D+01
                56            57            58            59            60 
      1  -0.188621D+01 -0.111185D+01 -0.153317D+01 -0.161015D+00 -0.237183D+00
      2   0.123110D+01  0.603424D+01  0.134479D+01 -0.341631D+00  0.849098D+00
      3  -0.560432D+01 -0.213918D+00 -0.206462D+01 -0.957361D+00  0.151420D+01
                61            62            63            64            65 
      1  -0.475829D+00  0.916868D+00 -0.309851D+00  0.160852D+01  0.131751D+01
      2   0.131896D+01  0.902385D-01  0.148172D+01 -0.155303D+01 -0.117612D+01
      3  -0.760877D-01  0.116228D+01  0.370108D+00  0.268428D+01  0.111034D+01
                66            67            68            69            70 
      1   0.114579D+00  0.448434D+00  0.769573D+01  0.296125D+01 -0.250630D+00
      2  -0.191014D+01 -0.161668D+01 -0.691287D+01 -0.736899D+01 -0.203386D+01
      3   0.127035D+00  0.203860D+01  0.105346D+02  0.671580D+01 -0.488403D+00
                71            72            73            74            75 
      1   0.534822D+01  0.353717D+01 -0.126438D+01  0.200270D+01  0.562461D+00
      2  -0.422874D+01 -0.764643D+01 -0.288453D+01  0.283409D+01 -0.325785D+01
      3   0.571776D+01  0.456758D+01 -0.360597D+01  0.356234D+01 -0.207315D+01
                76            77            78            79            80 
      1   0.101748D+01 -0.461447D+01  0.249167D+00  0.206712D+00  0.347365D+01
      2   0.296914D+01 -0.746856D+01  0.627919D+01 -0.326964D+01  0.479873D+01
      3   0.416480D+01 -0.101442D+02  0.665298D+01 -0.106823D+01  0.553326D+01
                81            82            83            84            85 
      1  -0.277858D+00 -0.236272D+00 -0.138598D+00  0.205651D+01 -0.960485D+00
      2  -0.723538D+01  0.189467D+01  0.346737D+00 -0.102311D+01  0.368188D+01
      3  -0.495449D+01  0.126758D+00  0.218891D+00  0.682927D+00  0.216772D+01
                86            87            88            89            90 
      1   0.263202D+00 -0.223398D+01  0.732352D+01  0.327449D+01  0.714930D+00
      2   0.596504D+00  0.114313D+01 -0.121926D+02  0.542042D-01  0.521005D-01
      3  -0.697077D+01  0.757248D+00 -0.155410D+01 -0.167493D+00 -0.616399D+01
                91            92            93            94            95 
      1  -0.833706D-02  0.902995D+00 -0.167005D+01  0.140759D+01 -0.135891D+00
      2  -0.596499D+00  0.229937D+01  0.116153D+01  0.137715D+01 -0.272509D+01
      3   0.228643D+01 -0.128968D+02 -0.211110D+01  0.300633D+01 -0.783971D+00
                96            97            98            99           100 
      1  -0.222469D+01 -0.518096D+01  0.706732D+00 -0.116623D+01  0.312136D+00
      2   0.342541D+01 -0.778715D+01  0.868382D+01  0.411691D+01  0.406265D+00
      3   0.165382D+01 -0.183441D+00  0.281185D+01 -0.426423D+01 -0.242946D+01
               101           102           103           104           105 
      1  -0.684481D+00 -0.683778D+00 -0.111493D+01 -0.251545D+01  0.743711D+00
      2  -0.137713D+00  0.574930D+01 -0.440727D+01  0.124433D+00  0.633576D+00
      3  -0.633792D+01 -0.109714D+00  0.115216D+02 -0.160865D+01  0.944078D+00
               106           107           108           109           110 
      1  -0.193923D+01  0.111263D+02  0.272599D+01 -0.245846D+00 -0.533391D+00
      2   0.720510D+01  0.235560D+01  0.169582D+01 -0.100941D+01  0.159738D+01
      3   0.335868D+01  0.582037D+00 -0.877984D+00  0.411962D+01 -0.100868D+02
               111           112           113           114           115 
      1   0.198542D+01 -0.130966D+01 -0.224544D+00 -0.152729D+01  0.673473D+01
      2   0.259401D+01 -0.958204D+00  0.292880D+01 -0.385929D+01 -0.344377D+01
      3  -0.165635D+01  0.681178D+01  0.105109D+01 -0.173028D+01  0.248541D+00
               116           117           118           119           120 
      1   0.351925D+01  0.102006D+01 -0.866685D-01  0.104885D+01 -0.137235D+01
      2  -0.101188D+02 -0.333151D+01  0.335914D+01  0.155076D+01 -0.485482D+00
      3  -0.300533D+01  0.427509D+01 -0.561745D+01 -0.371420D+01 -0.196958D+01
               121           122           123           124           125 
      1   0.104831D+01  0.832269D+00 -0.222792D+01 -0.500546D+01  0.102345D+01
      2   0.160627D+01 -0.671428D+00 -0.122138D+01 -0.134707D+02 -0.127587D+01
      3   0.318640D+01  0.674185D+01  0.130950D+00 -0.218465D+01 -0.102253D+01
               126           127           128           129           130 
      1  -0.497840D+00  0.145012D+00 -0.563996D+00  0.227721D+01  0.235402D+00
      2  -0.278136D+01  0.154520D+01 -0.721364D+00  0.693842D+00 -0.712360D+00
      3   0.516818D+01 -0.860768D+01  0.347649D+01  0.316313D+00  0.631113D+01
               131           132           133           134           135 
      1  -0.302235D-01 -0.307090D+01 -0.177672D+00  0.182542D+01 -0.752102D-01
      2   0.105600D+01 -0.103589D+01 -0.153312D+01  0.422676D+00 -0.286060D+00
      3  -0.490733D+01 -0.116859D+01 -0.183606D+00 -0.928034D+00 -0.102679D+00
               136           137           138           139           140 
      1  -0.161747D+00  0.760242D-01 -0.167271D+01 -0.151221D+00  0.508207D+00
      2   0.240134D+00  0.504445D+00  0.161335D+01  0.433202D+00  0.262690D+01
      3  -0.705716D+00 -0.237978D+01 -0.360012D+00 -0.114113D+01 -0.129783D+02
               141           142           143           144           145 
      1  -0.429695D+01  0.607210D+00  0.184324D+01 -0.640141D+00 -0.962422D-01
      2   0.336332D+01 -0.467002D+00  0.202655D-01  0.777738D+00  0.104368D+01
      3  -0.243112D+01 -0.347792D+00 -0.300658D+01 -0.610296D+00 -0.659985D+00
               146           147           148           149           150 
      1   0.360419D+00 -0.589183D+00  0.639499D-01  0.309954D-01 -0.387921D+00
      2  -0.732399D-01  0.626934D+01  0.142387D+01  0.335000D+00  0.868849D+00
      3  -0.526778D+01  0.113672D+00 -0.383061D+01 -0.137624D+01 -0.375987D+00
               151           152           153           154           155 
      1   0.350551D+00  0.475234D+00 -0.749549D-02  0.139745D+00 -0.528913D+00
      2  -0.249931D+01 -0.148299D+00  0.404011D+00 -0.134990D-01  0.163241D-01
      3  -0.106858D+01 -0.675989D+00 -0.261561D-01  0.135903D+01 -0.452836D+01
               156           157           158           159           160 
      1   0.222472D+01  0.281108D+00  0.201063D+00 -0.327306D+01 -0.861350D+00
      2   0.284203D+01  0.785926D+00 -0.140555D+01 -0.348605D+01 -0.753226D+00
      3  -0.204895D+00 -0.318031D+01  0.107054D+02  0.129106D+01 -0.842327D+00
               161           162           163           164           165 
      1   0.146602D+01 -0.337053D+00  0.121703D+00  0.207075D+00 -0.152919D+01
      2   0.519058D+00 -0.379913D+00 -0.145130D+01 -0.105095D+01  0.721288D-01
      3   0.206824D+01  0.246427D+00  0.577560D+01  0.359780D+01  0.109523D+01
               166           167           168           169           170 
      1   0.993562D-01  0.644291D+00 -0.405035D+01  0.544763D+00  0.214308D+01
      2  -0.144159D+01 -0.201984D+01  0.303637D-01 -0.174511D+01 -0.495267D+00
      3   0.664402D+01  0.816617D+01  0.220112D+01  0.212409D+01  0.200617D+01
               171 
      1  -0.544818D+00
      2   0.530669D-01
      3   0.217661D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.274380D+02 -0.189339D+01 -0.259475D+01 -0.881694D+01  0.244252D+01
      2  -0.153661D+02 -0.101301D+01 -0.602182D+01  0.385113D+01  0.776837D+01
      3  -0.120719D+02  0.290640D+01  0.861658D+01  0.496581D+01 -0.102109D+02
      4  -0.144275D+02  0.155063D+02 -0.697507D+01  0.195140D+02 -0.124122D+02
      5   0.123000D+02 -0.819432D+01  0.228377D+02 -0.115486D+02  0.913849D+01
      6  -0.450377D+01  0.457685D+01 -0.677619D+01  0.709468D+01 -0.411369D+01
                 6             7             8             9            10 
      1  -0.549385D+01 -0.140948D+01 -0.299354D+01  0.175217D+02  0.435951D+01
      2   0.264114D+01 -0.295120D+01 -0.215119D+01 -0.522613D+01  0.677708D+00
      3   0.285270D+01  0.436069D+01  0.514473D+01 -0.122956D+02 -0.503722D+01
      4   0.884157D+01 -0.574854D+01  0.554019D+00 -0.164796D+01  0.367920D+01
      5  -0.498502D+01  0.198193D+02 -0.243393D+00 -0.479811D+01  0.461327D+01
      6   0.602662D+01 -0.380198D+01  0.230974D+01  0.438517D+01  0.252996D+01
                11            12            13            14            15 
      1   0.171393D+01 -0.176109D+01  0.103401D+02  0.217109D+01  0.691977D+01
      2   0.269251D+00 -0.201239D+01 -0.783626D+01 -0.868761D+01 -0.119195D+02
      3  -0.198318D+01  0.377348D+01 -0.250382D+01  0.651653D+01  0.499972D+01
      4  -0.976188D+01  0.458793D+01 -0.168537D+02 -0.140434D+02 -0.183051D+02
      5   0.478284D+01 -0.153105D+02  0.125537D+02 -0.172994D+02 -0.548670D+00
      6  -0.109238D+01 -0.435349D-01 -0.681423D+01 -0.865188D+01 -0.695764D+01
                16            17            18            19            20 
      1   0.451534D+01  0.628698D+01 -0.638155D+01 -0.330161D+01 -0.344162D+01
      2  -0.931225D+01 -0.548493D+01  0.771855D+01  0.612040D+00  0.364279D+00
      3   0.479691D+01 -0.802043D+00 -0.133700D+01  0.268957D+01  0.307734D+01
      4   0.107286D+02 -0.140780D+02 -0.725855D+01  0.300031D+00 -0.217520D+01
      5  -0.297272D+02 -0.705893D+01  0.468431D+01  0.117212D+01  0.204226D+01
      6  -0.537679D+01 -0.754872D+01  0.128561D+01 -0.692285D+00 -0.248651D+01
                21            22            23            24            25 
      1   0.102537D+02 -0.154190D+01 -0.457245D+01  0.462292D+01  0.715569D+01
      2   0.420211D+00  0.185886D+00  0.196537D+01 -0.938195D+00 -0.279722D+01
      3  -0.106739D+02  0.135602D+01  0.260707D+01 -0.368473D+01 -0.435846D+01
      4   0.125306D+01  0.224904D+01 -0.422697D+01  0.339504D+01 -0.240341D+01
      5  -0.557644D+01 -0.589244D+00  0.327216D+01 -0.509828D+01  0.347480D+01
      6   0.456858D+01 -0.108773D+00 -0.385392D+01  0.690334D+01  0.854032D+00
                26            27            28            29            30 
      1   0.602387D+01 -0.202687D+02  0.272819D+01  0.303901D+01  0.222742D+01
      2   0.335134D+00 -0.664066D+01  0.673527D+00 -0.353177D+00 -0.412969D+00
      3  -0.635901D+01  0.269094D+02 -0.340172D+01 -0.268583D+01 -0.181445D+01
      4   0.461020D+01 -0.600910D+01  0.825066D+01  0.940029D+01  0.314179D+01
      5  -0.726780D+01  0.225456D+02  0.388195D+01  0.315977D+01  0.679603D+01
      6   0.660394D+01 -0.120568D+02  0.388967D+01  0.177473D+01  0.149349D+01
                31            32            33            34            35 
      1   0.180701D+01 -0.946844D+01 -0.472490D+01  0.884091D+00 -0.496859D+01
      2   0.210973D+01  0.169197D+02  0.537716D+01  0.555846D+00  0.415821D+01
      3  -0.391674D+01 -0.745129D+01 -0.652267D+00 -0.143994D+01  0.810389D+00
      4   0.128904D+02  0.258287D+02  0.969150D+01  0.452437D+01  0.102242D+02
      5   0.385405D+01  0.943446D+01  0.984600D+01  0.854693D+01  0.812184D+01
      6   0.378723D+01  0.136399D+02  0.947789D+01  0.383255D+01  0.105062D+02
                36            37            38            39            40 
      1  -0.436260D+01 -0.541728D+02 -0.130390D+02  0.772767D+01 -0.122976D+02
      2   0.843705D+00  0.229453D+02  0.760591D+01  0.622686D+00  0.676841D+01
      3   0.351890D+01  0.312275D+02  0.543313D+01 -0.835036D+01  0.552919D+01
      4   0.850863D+01 -0.165936D+02  0.816357D+01 -0.274084D+01  0.680768D+01
      5   0.898188D+01  0.104178D+02 -0.478633D+00  0.129765D+02 -0.226831D+01
      6   0.869958D+01  0.338920D+01 -0.684226D+01  0.358157D+01 -0.266198D+01
                41            42            43            44            45 
      1   0.181160D+02 -0.403980D+01 -0.461129D+01 -0.626569D+01  0.132678D+02
      2  -0.381835D+01  0.904618D+01  0.112773D+02  0.903370D+01 -0.132282D+02
      3  -0.142977D+02 -0.500638D+01 -0.666599D+01 -0.276801D+01 -0.395875D-01
      4   0.468996D+01  0.184171D+02 -0.763266D+01  0.151946D+02  0.756731D+01
      5   0.139247D+02  0.512995D+01  0.243758D+02  0.742025D+01 -0.110906D+02
      6   0.200617D+01 -0.129715D+02  0.656361D+01 -0.963714D+01 -0.273911D+01
                46            47            48            49            50 
      1  -0.162083D+02 -0.244757D+01 -0.253667D+01  0.395527D+01 -0.952549D+01
      2   0.271092D+01  0.144116D+01 -0.583534D+00 -0.528625D+01  0.143096D+02
      3   0.134974D+02  0.100641D+01  0.312021D+01  0.133097D+01 -0.478408D+01
      4   0.255546D+01  0.416099D+01 -0.101691D+01 -0.113181D+02 -0.194398D+01
      5  -0.650562D+01 -0.152999D+01  0.237239D+01 -0.426240D+01  0.885325D+00
      6  -0.392379D+01  0.834511D+00  0.544359D+00 -0.360473D+01  0.529374D+01
                51            52            53            54            55 
      1  -0.889394D+00 -0.590669D+01 -0.199143D+01 -0.851273D+01  0.846652D+02
      2   0.600133D+01 -0.859779D+00  0.445209D+01 -0.448997D+01 -0.427233D+02
      3  -0.511193D+01  0.676647D+01 -0.246066D+01  0.130027D+02 -0.419419D+02
      4   0.747006D+00 -0.502912D+01  0.171942D+01  0.119954D+01  0.202340D+02
      5   0.151930D+00  0.504642D+01  0.106096D+01 -0.919931D+00 -0.267502D+02
      6  -0.136216D+01  0.551144D+00  0.522759D+01 -0.294525D+01 -0.391592D+01
                56            57            58            59            60 
      1   0.854730D+01 -0.472912D+01  0.766188D+01  0.582215D+01  0.314647D+00
      2  -0.266383D+01  0.595782D+01 -0.212436D+01 -0.217193D+01 -0.270629D+00
      3  -0.588348D+01 -0.122869D+01 -0.553752D+01 -0.365022D+01 -0.440177D-01
      4   0.127381D+02 -0.192922D+01  0.137050D+02  0.498000D+01 -0.271450D+01
      5  -0.324359D+01  0.139357D+02 -0.283498D+01 -0.376364D+01  0.167366D+01
      6  -0.312480D+01  0.223168D+01 -0.251446D+01 -0.134137D+01  0.301906D+01
                61            62            63            64            65 
      1   0.655564D+01  0.127495D+01  0.498826D+01  0.357932D+01 -0.247637D+01
      2  -0.115768D+01 -0.511196D+00 -0.306393D+01 -0.202473D+01  0.123090D+01
      3  -0.539796D+01 -0.763758D+00 -0.192433D+01 -0.155459D+01  0.124546D+01
      4   0.201936D+01 -0.340808D+00  0.123674D+01 -0.153223D+01 -0.307151D+00
      5   0.739190D+01  0.516877D+00 -0.258435D-01 -0.155034D+01  0.176595D+01
      6   0.111857D+01  0.193834D+01  0.982624D-01  0.215257D+01  0.171491D+01
                66            67            68            69            70 
      1  -0.463644D+01 -0.613688D+01 -0.841853D+01 -0.550013D+01 -0.315696D+01
      2   0.138414D+00  0.445884D+01  0.163653D+01 -0.535698D+01  0.229896D+01
      3   0.449803D+01  0.167804D+01  0.678200D+01  0.108571D+02  0.858003D+00
      4   0.371412D+00  0.274733D+01 -0.180067D+02 -0.116328D+02  0.173429D+01
      5  -0.763180D+00  0.781185D+01 -0.970703D+01 -0.140920D+02  0.404897D+01
      6   0.145952D+00 -0.544338D+00  0.129727D+02  0.103752D+02 -0.863238D+00
                71            72            73            74            75 
      1  -0.406196D+01 -0.983655D+01 -0.713062D+00  0.829113D+01 -0.738852D+01
      2  -0.402448D+01 -0.536559D+01  0.100732D+01 -0.527484D+01  0.130838D+01
      3   0.808644D+01  0.152021D+02 -0.294260D+00 -0.301630D+01  0.608014D+01
      4  -0.984513D+01 -0.817910D+01  0.184328D+01 -0.218588D+01  0.116714D+01
      5  -0.696292D+01 -0.127424D+02  0.205189D+00 -0.435316D+00 -0.227258D+01
      6   0.949943D+01  0.760584D+01 -0.347813D+01  0.548843D+01 -0.474549D+01
                76            77            78            79            80 
      1   0.813904D+01 -0.171602D+02  0.114575D+02 -0.360168D+01  0.957912D+01
      2  -0.473570D+01  0.137134D+02 -0.376762D+01  0.903427D+00 -0.292655D+01
      3  -0.340335D+01  0.344681D+01 -0.768983D+01  0.269825D+01 -0.665257D+01
      4   0.316578D+01  0.151731D+02 -0.104043D+02 -0.648571D+00 -0.845101D+01
      5  -0.463919D+01 -0.782849D+01  0.845371D+01  0.237887D+01  0.528024D+01
      6   0.872255D+00 -0.169787D+02  0.144957D+02 -0.129734D+01  0.127211D+02
                81            82            83            84            85 
      1  -0.141610D+02 -0.852701D+00  0.165029D+02  0.401240D+01 -0.491974D+01
      2   0.846576D+00  0.215422D-01 -0.124780D+02 -0.230011D+00  0.137265D+02
      3   0.133144D+02  0.831159D+00 -0.402484D+01 -0.378238D+01 -0.880681D+01
      4   0.599419D+01  0.115429D+02 -0.112982D+02 -0.679783D+00  0.405190D+01
      5  -0.871544D+01  0.268448D+01 -0.122401D+01 -0.178241D+01  0.254605D+01
      6  -0.118786D+02  0.237439D+01 -0.175316D+01 -0.439870D+01  0.816841D+01
                86            87            88            89            90 
      1   0.240946D+01  0.441502D+01 -0.156194D+01  0.570621D+01 -0.141927D+02
      2  -0.543955D+01 -0.295515D+01  0.680476D+01 -0.773595D+01  0.249416D+01
      3   0.303009D+01 -0.145987D+01 -0.524283D+01  0.202975D+01  0.116985D+02
      4   0.137286D+02  0.275362D+01  0.323149D+01  0.114899D+01  0.283410D+01
      5   0.279397D+01 -0.246097D+00  0.277682D+01  0.158756D+01 -0.984598D+00
      6  -0.530789D+01  0.482943D+01 -0.417661D+01  0.119098D+02 -0.481187D+00
                91            92            93            94            95 
      1   0.873740D+01 -0.214082D+02 -0.257316D+01  0.207927D+02  0.118228D+02
      2  -0.906473D+01  0.147887D+02  0.880655D+00 -0.173105D+02 -0.146426D+02
      3   0.327333D+00  0.661947D+01  0.169251D+01 -0.348222D+01  0.281985D+01
      4  -0.148325D+02 -0.548601D+01 -0.344795D+01  0.106991D+02 -0.275699D+01
      5  -0.497485D+01 -0.220553D+01 -0.589348D+00  0.403539D+00 -0.592167D+01
      6  -0.453233D+01 -0.100696D+01  0.341789D+01 -0.432706D+01 -0.967204D+01
                96            97            98            99           100 
      1   0.363908D+01  0.421405D+01  0.610394D+00 -0.526867D+01 -0.950789D+01
      2  -0.556749D+01 -0.697584D+01 -0.821286D+01 -0.429364D+01  0.726611D+01
      3   0.192841D+01  0.276179D+01  0.760246D+01  0.956230D+01  0.224178D+01
      4  -0.538859D+01 -0.316317D+01 -0.911493D+01  0.138263D+02 -0.194003D+01
      5   0.727836D+01  0.117285D+02  0.143529D+02  0.852349D+01 -0.366304D+01
      6   0.347520D+01  0.622902D+01  0.138975D+02  0.345361D+01  0.113705D+01
               101           102           103           104           105 
      1  -0.295103D+01 -0.444775D+01  0.966650D+01 -0.218587D+02 -0.742953D+01
      2   0.239371D+01  0.213200D+01 -0.781179D+01  0.184484D+02  0.847163D+01
      3   0.557323D+00  0.231575D+01 -0.185471D+01  0.341029D+01 -0.104210D+01
      4   0.214059D+02  0.118655D+01 -0.185589D+02 -0.368981D+01 -0.338236D+01
      5   0.887267D+00  0.133253D+02 -0.115105D+02 -0.129727D+01  0.717933D+00
      6   0.564749D+00  0.164305D+01 -0.301007D+01  0.330442D+01 -0.136831D+01
               106           107           108           109           110 
      1  -0.397626D+01 -0.874441D+01  0.143118D+02 -0.209984D+01  0.227952D+02
      2  -0.401020D+00  0.638382D+01 -0.166091D+02 -0.192648D+01 -0.151988D+02
      3   0.437728D+01  0.236059D+01  0.229728D+01  0.402633D+01 -0.759635D+01
      4  -0.123718D+02 -0.132597D+01  0.242468D+01  0.152594D+02  0.340336D+01
      5   0.346415D+02  0.326024D+01  0.462753D+01  0.150705D+00  0.647217D+00
      6   0.163125D+01  0.473596D+01 -0.380016D+01  0.490104D+00 -0.211525D+01
               111           112           113           114           115 
      1   0.473955D+01 -0.267143D+02  0.532793D+01  0.358924D+00 -0.791808D+01
      2  -0.834285D+00  0.237969D+02 -0.832226D+01 -0.891905D+00  0.975389D+01
      3  -0.390527D+01  0.291744D+01  0.299433D+01  0.532980D+00 -0.183581D+01
      4   0.207822D+01  0.182273D+01  0.956156D+01  0.821034D+01 -0.149158D+01
      5   0.535468D+01 -0.522091D+01  0.689223D+01 -0.780016D+01  0.184596D+02
      6  -0.530979D+01  0.656206D+01 -0.562544D+01  0.325888D+01 -0.713505D+01
               116           117           118           119           120 
      1   0.434472D+01  0.253376D+01  0.115650D+02 -0.110352D+02 -0.227126D+00
      2  -0.735971D+01 -0.812077D+01 -0.737264D+01  0.921177D+01  0.230754D+00
      3   0.301499D+01  0.558700D+01 -0.419233D+01  0.182343D+01 -0.362786D-02
      4   0.871421D+01 -0.149104D+02 -0.740168D+01 -0.179407D+02 -0.319321D+01
      5  -0.150833D+02 -0.763274D+01  0.675162D+00 -0.219033D+01 -0.383803D+01
      6   0.116154D+02 -0.673523D+00 -0.145942D+01 -0.955556D+00  0.336151D+01
               121           122           123           124           125 
      1  -0.575514D+00  0.863253D+01  0.473989D+01  0.192254D+01  0.336244D+01
      2  -0.839577D+01 -0.119011D+02 -0.696635D+01 -0.438883D+01 -0.100979D+02
      3   0.897128D+01  0.326856D+01  0.222646D+01  0.246629D+01  0.673541D+01
      4   0.110001D+02 -0.131261D+02 -0.182110D+01 -0.581709D+00 -0.300592D+01
      5  -0.574564D+00 -0.227591D+01 -0.639317D+00  0.339718D+01 -0.528545D+01
      6  -0.495659D+01 -0.981869D+01  0.289707D+01  0.185970D+01  0.137881D+02
               126           127           128           129           130 
      1  -0.154218D+02 -0.495315D+01  0.745849D+01  0.871462D+00  0.792332D+01
      2   0.114270D+01  0.674250D+01 -0.106792D+02 -0.893177D+00 -0.108851D+02
      3   0.142791D+02 -0.178935D+01  0.322073D+01  0.217153D-01  0.296174D+01
      4  -0.656857D+01 -0.863649D+01  0.860950D+01  0.103486D+01  0.804135D+01
      5  -0.393621D+01 -0.101058D+01  0.112985D+01  0.183929D+01  0.126090D+01
      6   0.423654D+01  0.903147D+00 -0.132257D+01 -0.254827D+01 -0.224318D+01
               131           132           133           134           135 
      1  -0.200536D+02 -0.324610D+01  0.131889D+01 -0.327563D+01 -0.600556D+00
      2   0.272128D+02  0.260462D+01 -0.181511D+01  0.394432D+01  0.121240D+01
      3  -0.715922D+01  0.641477D+00  0.496224D+00 -0.668691D+00 -0.611847D+00
      4  -0.877693D+01 -0.941046D+00  0.117794D+01 -0.103352D+01 -0.183366D+01
      5  -0.123558D+01 -0.129293D+01  0.100900D+01 -0.670594D+00 -0.840158D+00
      6   0.429793D+01  0.514469D+01 -0.804523D+00  0.194528D+01  0.126232D+01
               136           137           138           139           140 
      1   0.532171D+01  0.449406D+01  0.863316D+00 -0.603977D+00 -0.150929D+02
      2   0.302879D+01  0.502009D+01  0.278665D+00  0.106000D+02  0.359823D+02
      3  -0.835051D+01 -0.951415D+01 -0.114198D+01 -0.999601D+01 -0.208894D+02
      4   0.179450D+02  0.222854D+02  0.467240D+01  0.231862D+02  0.448778D+02
      5   0.413598D+01  0.468824D+01  0.462901D+01  0.497132D+01  0.880866D+01
      6   0.306723D+01  0.366172D+01  0.294847D+01  0.489208D+01  0.119645D+02
               141           142           143           144           145 
      1  -0.330866D+01  0.224892D+00 -0.280661D+01 -0.210048D+01  0.957537D+02
      2   0.488754D+01  0.175725D+01  0.657001D+01  0.265889D+01 -0.539447D+02
      3  -0.157888D+01 -0.198214D+01 -0.376340D+01 -0.558413D+00 -0.418090D+02
      4   0.889311D+01  0.544687D+01  0.102064D+02  0.352130D+01  0.125593D+02
      5   0.638605D+01  0.202521D+01  0.291782D+01  0.230575D+01  0.937883D+01
      6   0.898628D+01  0.204468D+01  0.496282D+01  0.328327D+01 -0.181167D+01
               146           147           148           149           150 
      1   0.835412D+01  0.591042D+01  0.707482D+01  0.939039D+01  0.169292D+01
      2  -0.408260D+01 -0.407227D+01 -0.311545D+01 -0.432133D+01 -0.135419D+01
      3  -0.427152D+01 -0.183815D+01 -0.395937D+01 -0.506906D+01 -0.338734D+00
      4   0.958919D+01  0.483527D+00  0.151319D+02  0.415934D+01  0.130001D+01
      5   0.506595D+00  0.109646D+02  0.324397D+01  0.145716D+01  0.144200D+01
      6   0.295088D+00  0.609210D+00  0.795911D+00 -0.106385D+00  0.155490D+01
               151           152           153           154           155 
      1   0.759093D+01  0.196905D+01  0.339597D+01  0.208217D+02 -0.130597D+02
      2  -0.429377D+01 -0.109882D+01 -0.232733D+01 -0.363108D+01 -0.129167D+01
      3  -0.329716D+01 -0.870232D+00 -0.106863D+01 -0.171907D+02  0.143514D+02
      4   0.370525D+01  0.146238D+01  0.765545D+00 -0.317624D+02  0.292840D+02
      5   0.351229D+01  0.477270D+00  0.154061D+01 -0.541782D+01  0.380677D+01
      6   0.166789D+00  0.757378D+00  0.339543D+00  0.200694D+01 -0.175970D+01
               156           157           158           159           160 
      1  -0.229493D+01 -0.888075D+01  0.304567D+01  0.748481D+00 -0.672746D+00
      2   0.853449D+00 -0.611429D+01  0.166639D+02  0.733618D+00 -0.115247D+01
      3   0.144148D+01  0.149950D+02 -0.197096D+02 -0.148210D+01  0.182522D+01
      4   0.375361D+01  0.324258D+02 -0.428614D+02 -0.646938D+01  0.505622D+01
      5   0.610860D+01  0.577699D+01 -0.670348D+01 -0.616719D+01  0.222044D+01
      6  -0.325535D+01 -0.359029D+01  0.495698D+01  0.597581D+01 -0.172107D+01
               161           162           163           164           165 
      1   0.358500D-01 -0.311730D+00 -0.517980D+01 -0.847182D+01 -0.253749D+01
      2   0.247322D+01  0.991859D+00  0.637767D+01  0.102233D+02  0.179801D+01
      3  -0.250907D+01 -0.680129D+00 -0.119787D+01 -0.175152D+01  0.739472D+00
      4  -0.662556D+01 -0.285085D+01  0.368634D+01  0.705773D+01  0.135467D+01
      5  -0.231455D+01 -0.144768D+01  0.916049D+00  0.118716D+01  0.149940D+01
      6   0.273319D+01  0.173467D+01  0.237705D+01  0.354816D+01  0.253156D+01
               166           167           168           169           170 
      1  -0.735917D+01 -0.313297D+02 -0.767821D+01 -0.200634D+01 -0.748720D+01
      2   0.909025D+01  0.412833D+02  0.702769D+01  0.231435D+01  0.885159D+01
      3  -0.173108D+01 -0.995358D+01  0.650515D+00 -0.308008D+00 -0.136440D+01
      4   0.527796D+01 -0.425439D+00 -0.531073D+00  0.144617D+01 -0.136000D-01
      5   0.102636D+01 -0.574697D+00 -0.209905D+00  0.859104D+00  0.620106D+00
      6   0.286221D+01  0.121358D+02  0.874628D+01  0.105440D+01  0.448343D+01
               171 
      1  -0.293812D+01
      2   0.311869D+01
      3  -0.180574D+00
      4   0.137990D+01
      5   0.583684D+00
      6   0.329238D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541766D+00      0.137703D+01      0.459328D+01
   x          0.430597D+00      0.109447D+01      0.365076D+01
   y         -0.282856D+00     -0.718948D+00     -0.239815D+01
   z         -0.167596D+00     -0.425986D+00     -0.142094D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.948585D+02      0.140566D+02      0.156401D+02
   aniso      0.463482D+02      0.686809D+01      0.764178D+01
   xx         0.119741D+03      0.177437D+02      0.197426D+02
   yx         0.978013D+00      0.144927D+00      0.161253D+00
   yy         0.974025D+02      0.144336D+02      0.160595D+02
   zx         0.390203D+00      0.578222D-01      0.643358D-01
   zy         0.510433D+01      0.756383D+00      0.841590D+00
   zz         0.674325D+02      0.999246D+01      0.111181D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100314D+03      0.148650D+02      0.165395D+02
   aniso      0.472888D+02      0.700748D+01      0.779688D+01
   xx         0.125985D+03      0.186691D+02      0.207722D+02
   yx         0.729147D+00      0.108048D+00      0.120220D+00
   yy         0.102449D+03      0.151814D+02      0.168916D+02
   zx         0.659129D+00      0.976728D-01      0.108676D+00
   zy         0.510219D+01      0.756067D+00      0.841238D+00
   zz         0.725067D+02      0.107444D+02      0.119547D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -3.12982941         -0.62820153         -3.65767643
     6         -2.17234194          1.27559950         -1.99743722
     1         -3.87341185         -1.94798094         -2.64643554
     1         -3.75430812          2.21636858         -1.04102173
     6         -0.82607496          3.19883798         -3.65722918
     6         -0.44402530          0.18873548          0.00613316
     1         -2.12656188          3.94558091         -5.07078125
     1          0.76199081          2.30833506         -4.62398569
     1         -0.10870316          4.75625079         -2.51476853
     6          1.28484939         -1.70755937         -0.59546326
     6          2.91321040         -2.65401771          1.23176328
     6          2.84193646         -1.71084278          3.68423608
     6          1.12418060          0.17700041          4.29975684
     6         -0.51064626          1.11312418          2.46900096
     1          1.33080332         -2.44596170         -2.50217498
     1          4.24389039         -4.12896869          0.74204661
     1          4.11085719         -2.45046137          5.10768329
     1          1.04685552          0.91204869          6.20734132
     1         -1.85932682          2.57513253          2.95893918

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541766D+00      0.137703D+01      0.459328D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.541766D+00      0.137703D+01      0.459328D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.948585D+02      0.140566D+02      0.156401D+02
   aniso      0.463482D+02      0.686809D+01      0.764178D+01
   xx         0.876665D+02      0.129908D+02      0.144543D+02
   yx        -0.189601D+02     -0.280960D+01     -0.312610D+01
   yy         0.876181D+02      0.129837D+02      0.144463D+02
   zx         0.141049D+02      0.209014D+01      0.232559D+01
   zy        -0.118088D+01     -0.174988D+00     -0.194700D+00
   zz         0.109291D+03      0.161952D+02      0.180196D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100314D+03      0.148650D+02      0.165395D+02
   aniso      0.472888D+02      0.700748D+01      0.779688D+01
   xx         0.931901D+02      0.138093D+02      0.153650D+02
   yx        -0.190123D+02     -0.281733D+01     -0.313471D+01
   yy         0.925805D+02      0.137190D+02      0.152645D+02
   zx         0.147235D+02      0.218180D+01      0.242758D+01
   zy        -0.123367D+01     -0.182811D+00     -0.203405D+00
   zz         0.115171D+03      0.170666D+02      0.189891D+02

 ----------------------------------------------------------------------
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 000227\\\@


 When I told the people of Northern Ireland that I was
 an atheist, a woman in the audience stood up and said,
 "Yes, but is it the God of the Catholics or the God
 of the Protestants in whom you don't believe?"
                               -- Quentin Crisp
 Job cpu time:       0 days  1 hours 54 minutes 30.0 seconds.
 Elapsed time:       0 days  0 hours 14 minutes 21.6 seconds.
 File lengths (MBytes):  RWF=    261 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:44:04 2021.
